Argipressin, (4-azido)phe(3)-
1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(4-azidophenyl)methyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
Also Known As: 3-Phe(p-N3)-avp|3-(4-Azido)phe-argipressin|Argipressin, (4-azido)phe(3)-|Arginine vasopressin, (4-azido)phe(3)-|Argipressin, (4-azido)phenylalanine(3)-|1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(4-azidophenyl)methyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
| Molecular Formula | C46H64N18O12S2 |
|---|---|
| Molecular Weight | 1124.4392 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 529.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Exact Mass | 1124.4392 |
| Monoisotopic Mass | 1124.4392 |
| Heavy Atoms | 78 |
| Complexity | 2240.0 |
Chemical Identifiers
| CAS Number | 97474-07-2 |
|---|---|
| SMILES | C1CC(N(C1)C(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=C(C=C3)N=[N+]=[N-])CC4=CC=C(C=C4)O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N |
| InChIKey | BQLRGCYAAWQNHV-HXAPPMQUSA-N |
Product Overview
Argipressin, (4-azido)phe(3)- (CAS 97474-07-2), with molecular formula C46H64N18O12S2 and molecular weight 1124.4392 g/mol. IUPAC: 1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(4-azidophenyl)methyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pyrrolidine-2-carboxamide.