ORNIPRESSIN
N-[5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Also Known As: ORNIPRESSIN, Orpressin, Ornipressin acetate, Ornipressinum, Ornipresina, Ornipressina, Ornipressine, Ornipressin [INN], (Orn8) Vasopressin, Ornipressina [DCIT], 8-Ornithinevasopressin, Ornithine-vasopressin, Ornithine Vasopressin, Vasopressin, Ornithine, Ornithine-8-Vasopressin
| Molecular Formula | C45H63N13O12S2 |
|---|---|
| Molecular Weight | 1041.416 g/mol |
| LogP | -4.72 |
| Topological Polar Surface Area | 425.55 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 18 |
| Exact Mass | 1041.416 |
| Heavy Atoms | 72 |
| Complexity | 2279 |
Chemical Identifiers
| CAS Number | 3397-23-7 |
|---|---|
| SMILES | C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN)C(=O)NCC(=O)N |
Product Overview
ORNIPRESSIN (CAS 3397-23-7), with molecular formula C45H63N13O12S2 and molecular weight 1041.416 g/mol. IUPAC: N-[5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide.
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