1-(2-Mercapto)propionic acid-8-(lys-N(6)-biotin)vasopressin
[CAS# 130154-83-5]

Identification

• Name: 1-(2-Mercapto)propionic acid-8-(lys-N(6)-biotin)vasopressin
• Synonyms: 1-[7-(2-Amino-2-Oxo-Ethyl)-10-(3-Amino-3-Oxo-Propyl)-16-[(4-Hydroxyphenyl)Methyl]-6,9,12,15,18-Pentaoxo-13-(Phenylmethyl)1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]-N-[1-[(2-Amino-2-Oxo-Ethyl)Carbamoyl]-5-[5-(2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Pentanoylamino]Pentyl]Pyrrolidine-2-Carboxamide; N-[1-[[(2-Amino-2-Oxoethyl)Amino]-Oxomethyl]-5-[[1-Oxo-5-(2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Pentyl]Amino]Pentyl]-1-[[7-(2-Amino-2-Oxoethyl)-10-(3-Amino-3-Oxopropyl)-16-[(4-Hydroxyphenyl)Methyl]-6,9,12,15,18-Pentaoxo-13-(Phenylmethyl)-1,2-Dithia-5,8,11,14,17-Pentazacycloicos-4-Yl]-Oxomethyl]-2-Pyrrolidinecarboxamide; 1-[7-(2-Amino-2-Keto-Ethyl)-10-(3-Amino-3-Keto-Propyl)-13-(Benzyl)-16-(4-Hydroxybenzyl)-6,9,12,15,18-Pentaketo-1,2-Dithia-5,8,11,14,17-Pentazacycloicosane-4-Carbonyl]-N-[1-[(2-Amino-2-Keto-Ethyl)Carbamoyl]-5-[5-(2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Pentanoylamino]Pentyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₅₆H₇₈N₁₄O₁₄S₃
• Molecular Weight: 1267.50
• CAS Registry Number: 130154-83-5
• SMILES: C6=C(CC1NC(=O)C(NC(=O)CCSSCC(NC(=O)C(NC(=O)C(NC1=O)CCC(=O)N)CC(=O)N)C(=O)N4C(C(=O)NC(C(=O)NCC(=O)N)CCCCNC(=O)CCCCC2SCC3NC(=O)NC23)CCC4)CC5=CC=C(O)C=C5)C=CC=C6
• InChI: 1S/C56H78N14O14S3/c57-43(72)20-19-35-50(78)66-38(27-44(58)73)53(81)67-40(30-87-86-24-21-47(76)62-36(26-32-15-17-33(71)18-16-32)51(79)65-37(52(80)63-35)25-31-9-2-1-3-10-31)55(83)70-23-8-12-41(70)54(82)64-34(49(77)61-28-45(59)74)11-6-7-22-60-46(75)14-5-4-13-42-48-39(29-85-42)68-56(84)69-48/h1-3,9-10,15-18,34-42,48,71H,4-8,11-14,19-30H2,(H2,57,72)(H2,58,73)(H2,59,74)(H,60,75)(H,61,77)(H,62,76)(H,63,80)(H,64,82)(H,65,79)(H,66,78)(H,67,81)(H2,68,69,84)
• InChIKey: HTQZCIRBYLPLOK-UHFFFAOYSA-N

Properties

• Density: 1.307g/cm³ (Cal.)
• Boiling point: 1785.483°C at 760 mmHg (Cal.)
• Flash point: 1033.623°C (Cal.)