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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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N769886-1mg
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1mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$823.90
|
|
|
N769886-5mg
|
5mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$3,273.90
|
|
| Specifications & Purity | ≥95%(HPLC) |
|---|---|
| Storage Temp | Store at -20°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic Polymers |
| Class | Polypeptides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Polypeptides |
| Alternative Parents | Cyclic peptides Leucine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Serine and derivatives Benzene and substituted derivatives N-acyl amines Dicarboxylic acids and derivatives Secondary carboxylic acid amides Amino acids Organic disulfides Lactams Guanidines Sulfenyl compounds Azacyclic compounds Carboximidamides Carboxylic acids Dialkylthioethers Primary alcohols Organic oxides Monoalkylamines Carbonyl compounds Imines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Polypeptide - Cyclic alpha peptide - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Serine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - N-acyl-amine - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Benzenoid - Dicarboxylic acid or derivatives - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Lactam - Amino acid or derivatives - Amino acid - Organic disulfide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Sulfenyl compound - Carboximidamide - Thioether - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alcohol - Imine - Primary amine - Primary aliphatic amine - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. |
| External Descriptors | Not available |
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| IUPAC Name | (4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,43S,49S,52R)-52-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]acetyl]amino]-40-(4-aminobutyl)-49-benzyl-28-[(2S)-butan-2-yl]-31-(3-carbamimidamidopropyl)-34-(carboxymethyl)-16,22-bis(hydroxymethyl)-10,37,43-tris(2-methylpropyl)-19-(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carboxylic acid |
|---|---|
| INCHI | InChI=1S/C93H157N27O28S3/c1-12-52(10)76-91(146)104-42-72(127)108-65(44-122)88(143)114-57(26-30-149-11)82(137)118-64(43-121)80(135)103-39-70(125)106-58(31-48(2)3)78(133)101-41-74(129)110-68(92(147)148)47-151-150-46-67(109-73(128)40-100-77(132)54(23-16-18-27-94)111-89(144)66(45-123)119-85(140)59(32-49(4)5)105-69(124)37-96)90(145)116-62(35-53-21-14-13-15-22-53)79(134)102-38-71(126)107-60(33-50(6)7)84(139)112-55(24-17-19-28-95)81(136)115-61(34-51(8)9)86(141)117-63(36-75(130)131)87(142)113-56(83(138)120-76)25-20-29-99-93(97)98/h13-15,21-22,48-52,54-68,76,121-123H,12,16-20,23-47,94-96H2,1-11H3,(H,100,132)(H,101,133)(H,102,134)(H,103,135)(H,104,146)(H,105,124)(H,106,125)(H,107,126)(H,108,127)(H,109,128)(H,110,129)(H,111,144)(H,112,139)(H,113,142)(H,114,143)(H,115,136)(H,116,145)(H,117,141)(H,118,137)(H,119,140)(H,120,138)(H,130,131)(H,147,148)(H4,97,98,99)/t52-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,76-/m0/s1 |
| InChIKey | UHSBKBYWHCBDCJ-DYGWFTAGSA-N |
| Smiles | CCC(C)C1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCNC(=N)N)CC(=O)O)CC(C)C)CCCCN)CC(C)C)CC2=CC=CC=C2)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)CN)C(=O)O)CC(C)C)CO)CCSC)CO |
| Isomeric SMILES | CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)CC(=O)O)CC(C)C)CCCCN)CC(C)C)CC2=CC=CC=C2)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)O)CC(C)C)CO)CCSC)CO |
| WGK Germany | 3 |
| PubChem CID | 16179407 |
| Molecular Weight | 2197.6 |
| Molecular Weight | 2197.600 g/mol |
|---|---|
| XLogP3 | -8.700 |
| Hydrogen Bond Donor Count | 32 |
| Hydrogen Bond Acceptor Count | 35 |
| Rotatable Bond Count | 44 |
| Exact Mass | 2196.09 Da |
| Monoisotopic Mass | 2196.09 Da |
| Topological Polar Surface Area | 962.000 Ų |
| Heavy Atom Count | 151 |
| Formal Charge | 0 |
| Complexity | 4490.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 17 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |