Amatoxins

Description:

Cyclic peptides containing eight amino acid residues arranged in a macrobicyclic motif.

Ancestors:

Organic compounds ⮕ Organic acids and derivatives ⮕ Carboxylic acids and derivatives ⮕ Amino acids, peptides, and analogues ⮕ Peptides ⮕ Cyclic peptides ⮕ Amatoxins

amanitin
IUPAC Name: 2-[(1R,4S,10S,13S,16S,34S)-34-(butan-2-yl)-13-[(3R)-3,4-dihydroxybutan-2-yl]-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27$l^{4}-thia-3,6,12,15,2show more

SMILES: OC[C@@H](C([C@@H]1NC(=O)[C@@H]2CC(CN2C(=O)[C@H](CC(=O)N)NC(=O)[C@@H]2CS(=O)c3c(C[C@H](NC1=O)C(=O)NCC(=O)N[C@@H](C(CC)C)C(=O)NCC(=O)N2)c1ccc(cc1[nH]3)Oshow more

InChIKey: CIORWBWIBBPXCG-JZTFPUPKSA-N

InChI: InChI=1S/C39H54N10O14S/c1-4-16(2)31-36(60)42-11-29(55)43-25-15-64(63)38-21(20-6-5-18(51)7-22(20)46-38)9-23(33(57)41-12-30(56)47-31)44-37(61)32(17(3)27show more

Synonyms: alpha-amanitin | 2-[(1R,4S,10S,13S,16S,34S)-34-(butan-2-yl)-13-[(3R)-3,4-dihydroxybutan-2-yl]-8,22-dihydroxy-2,5,11,1...
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α-Amanitin
- ≥90%
Cas Number: 23109-05-9 EC Number: 245-432-2 Compound CID: 2100

Formula: C₃₉H₅₄N₁₀O₁₄S Molecular Weight: 918.97

IUPAC Name: 2-[34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.show more

SMILES: CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)C(CO)O)C5=C(N3)C=C(C=C5)O

InChIKey: CIORWBWIBBPXCG-UHFFFAOYSA-N

InChI: InChI=1S/C39H54N10O14S/c1-4-16(2)31-36(60)42-11-29(55)43-25-15-64(63)38-21(20-6-5-18(51)7-22(20)46-38)9-23(33(57)41-12-30(56)47-31)44-37(61)32(17(3)27show more

Synonyms: Bio1_001196 | Bio1_000707 | Bio1_000218 | alpha-Amanitin, from Amanita phalloides, >=90% (HPLC), powder | 2-[(2,3-dih...
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beta-Amanitin
- ≥90%
Cas Number: 21150-22-1

Formula: C₃₉H₅₃N₉O₁₅S Molecular Weight: 919.95

IUPAC Name: 2-[34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8,22-dihydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.show more

SMILES: CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)O)O)C(C)C(CO)O)C5=C(N3)C=C(C=C5)O

InChIKey: IEQCUEXVAPAFMQ-UHFFFAOYSA-N

InChI: InChI=1S/C39H53N9O15S/c1-4-16(2)31-36(60)41-11-28(53)42-25-15-64(63)38-21(20-6-5-18(50)7-22(20)45-38)9-23(33(57)40-12-29(54)46-31)43-37(61)32(17(3)27(show more

Synonyms: 1-L-aspartic acid-α-amanitin
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