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N-acyl-alpha amino acids and derivatives

Description:

Compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
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  1. Nafcillin sodium salt monohydrate
      Grade & Purity: 
    • ≥95%
    Cas Number: 7177-50-6
    Formula:  C21H21N2O5SNa·H2O        Molecular Weight: 454.47
    IUPAC Name:  sodium;(2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate;hydrate
    SMILES:  CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].O.[Na+]
    InChIKey: OCXSDHJRMYFTMA-KMFBOIRUSA-M
    InChI:  InChI=1S/C21H22N2O5S.Na.H2O/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;;/h5-10,15-16,19H,4H2,1-3H3,(H,show more
    Synonyms: Sodium (2S,5R,6R)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-ca...
  2. Mezlocillin Sodium
    Cas Number: 42057-22-7        Compound CID:  23685177
    Formula:  C21H24N5NaO8S2        Molecular Weight: 561.56
    IUPAC Name:  sodium;(2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.show more
    SMILES:  CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCN(C4=O)S(=O)(=O)C)C(=O)[O-])C.[Na+]
    InChIKey: GTGQRSIMEUWHPA-ZBJAFUORSA-M
    InChI:  InChI=1S/C21H25N5O8S2.Na/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34;/h4-8,12-14,1show more
    Synonyms: BAY-f 1353 sodium | [2S-[2alpha,5alpha,6beta(S*)]]-3,3-Dimethyl-6-[[[[[3-(Methylsulfonyl)-2-Oxo-1-Imidazolidinyl]Carb...
  3. Thiorphan
      Grade & Purity: 
    • ≥98%
    Cas Number: 76721-89-6
    Formula:  C12H15NO3S        Molecular Weight: 253.32
    IUPAC Name:  2-[(2-benzyl-3-sulfanylpropanoyl)amino]acetic acid
    SMILES:  C1=CC=C(C=C1)CC(CS)C(=O)NCC(=O)O
    InChIKey: LJJKNPQAGWVLDQ-UHFFFAOYSA-N
    InChI:  InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)
    Synonyms: 2-(2-Benzyl-3-mercaptopropanamido)acetic acid | (±)-N-(3-Mercapto-2-benzylpropionyl)glycine | DL-3-Mercapto-2-benzylp...
  4. N-(3-Hydroxydodecanoyl)-DL-homoserine lactone
      Grade & Purity: 
    • ≥97%(HPLC)
    Cas Number: 182359-60-0        Compound CID:  11507677
    Formula:  C16H29NO4        Molecular Weight: 299.41
    IUPAC Name:  3-hydroxy-N-(2-oxooxolan-3-yl)dodecanamide
    SMILES:  CCCCCCCCCC(CC(=O)NC1CCOC1=O)O
    InChIKey: RGTXFFYJJNWEPV-UHFFFAOYSA-N
    InChI:  InChI=1S/C16H29NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h13-14,18H,2-12H2,1H3,(H,17,19)
  5. N-(3-Hydroxytetradecanoyl)-DL-homoserinelactone
      Grade & Purity: 
    • ≥96%(HPLC)
    Cas Number: 172670-99-4        Compound CID:  11681427
    Formula:  C18H33NO4        Molecular Weight: 327.46
    IUPAC Name:  3-hydroxy-N-(2-oxooxolan-3-yl)tetradecanamide
    SMILES:  CCCCCCCCCCCC(CC(=O)NC1CCOC1=O)O
    InChIKey: IKQUESGRCDRZTI-UHFFFAOYSA-N
    InChI:  InChI=1S/C18H33NO4/c1-2-3-4-5-6-7-8-9-10-11-15(20)14-17(21)19-16-12-13-23-18(16)22/h15-16,20H,2-14H2,1H3,(H,19,21)
  6. N-3-hydroxydecanoyl-L-Homoserine lactone (OH-C10-HSL)
      Grade & Purity: 
    • ≥98%
    Cas Number: 192883-12-8
    Formula:  C14H25NO4        Molecular Weight: 271.4
    SMILES:  CCCCCCCC(CC(=O)NC1CCOC1=O)O
    InChIKey: DOICJCCMIBBSOO-KIYNQFGBSA-N
    InChI:  InChI=1S/C14H25NO4/c1-2-3-4-5-6-7-11(16)10-13(17)15-12-8-9-19-14(12)18/h11-12,16H,2-10H2,1H3,(H,15,17)/t11?,12-/m0/s1
  7. N-(1H-indol-3-ylacetyl)-L-tryptophan
      Grade & Purity: 
    • ≥98%
    Cas Number: 57105-53-0        Compound CID:  644228
    Formula:  C21H19N3O3        Molecular Weight: 361.39
    IUPAC Name:  (2S)-3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoic acid
    SMILES:  C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CC3=CNC4=CC=CC=C43
    InChIKey: FOSPCYZZRVNHJS-IBGZPJMESA-N
    InChI:  InChI=1S/C21H19N3O3/c25-20(10-14-12-23-18-8-4-2-6-16(14)18)24-19(21(26)27)9-13-11-22-17-7-3-1-5-15(13)17/h1-8,11-12,19,22-23H,9-10H2,(H,24,25)(H,26,27show more
  8. Sodium N-methyl-N-(1-oxohexadecyl)aminoacetate
      Grade & Purity: 
    • ≥95%
    Cas Number: 4028-10-8
    Formula:  C19H36NNaO3        Molecular Weight: 349.4838
    SMILES:  CCCCCCCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]
    InChIKey: AUHKUMFBHOJIMU-UHFFFAOYSA-M
    InChI:  InChI=1S/C19H37NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21)20(2)17-19(22)23;/h3-17H2,1-2H3,(H,22,23);/q;+1/p-1
  9. Lactacystin
    Cas Number: 133343-34-7        Compound CID:  6610292
    Formula:  C15H24N2O7S        Molecular Weight: 376.425
    IUPAC Name:  (2R)-2-acetamido-3-[(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbonyl]sulfanylpropanoic acid
    SMILES:  CC1C(C(NC1=O)(C(C(C)C)O)C(=O)SCC(C(=O)O)NC(=O)C)O
    InChIKey: DAQAKHDKYAWHCG-RWTHQLGUSA-N
    InChI:  InChI=1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,show more
  10. Diethyl 2-acetamido-2-((2-oxo-1,2-dihydroquinolin-4-yl)methyl)malonate
      Grade & Purity: 
    • ≥97%
    Cas Number: 4900-38-3        Compound CID:  13342172
    Formula:  C19H22N2O6        Molecular Weight: 374.4
    IUPAC Name:  diethyl 2-acetamido-2-[(2-oxo-1H-quinolin-4-yl)methyl]propanedioate
    SMILES:  CCOC(=O)C(CC1=CC(=O)NC2=CC=CC=C21)(C(=O)OCC)NC(=O)C
    InChIKey: ALGGJCHJAMWLFH-UHFFFAOYSA-N
    InChI:  InChI=1S/C19H22N2O6/c1-4-26-17(24)19(21-12(3)22,18(25)27-5-2)11-13-10-16(23)20-15-9-7-6-8-14(13)15/h6-10H,4-5,11H2,1-3H3,(H,20,23)(H,21,22)
  11. (S)-N-(1-aMino-1-oxobutan-2-yl)-4-chlorobutanaMide
      Grade & Purity: 
    • ≥95%
    Cas Number: 102767-31-7        Compound CID:  29938341
    Formula:  C8H15ClN2O2        Molecular Weight: 206.67
    IUPAC Name:  (2S)-2-(4-chlorobutanoylamino)butanamide
    SMILES:  CCC(C(=O)N)NC(=O)CCCCl
    InChIKey: QBJNYRYTZPBHFT-LURJTMIESA-N
    InChI:  InChI=1S/C8H15ClN2O2/c1-2-6(8(10)13)11-7(12)4-3-5-9/h6H,2-5H2,1H3,(H2,10,13)(H,11,12)/t6-/m0/s1
  12. (S)-2-Dodecanamido-5-guanidinopentanoic acid
      Grade & Purity: 
    • ≥97%
    Cas Number: 42492-22-8
    Formula:  C18H36N4O3        Molecular Weight: 356.50
    SMILES:  CCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O
    InChIKey: XTJKNGLLPGBHHO-HNNXBMFYSA-N
    InChI:  InChI=1S/C18H36N4O3/c1-2-3-4-5-6-7-8-9-10-13-16(23)22-15(17(24)25)12-11-14-21-18(19)20/h15H,2-14H2,1H3,(H,22,23)(H,24,25)(H4,19,20,21)/t15-/m0/s1
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