(1-(2-Mercapto)propionic acid)-8-lysine-N(6)-5-dimethylaminonaphthalene-1-sulfonyl vasopressin
[CAS# 127290-94-2]

Identification

• Name: (1-(2-Mercapto)propionic acid)-8-lysine-N(6)-5-dimethylaminonaphthalene-1-sulfonyl 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-Dimethylamino-1-Naphthyl)Sulfonylamino]Pentyl]Pyrrolidine-2-Carboxamide; N-[1-[[(2-Amino-2-Oxoethyl)Amino]-Oxomethyl]-5-[(5-Dimethylamino-1-Naphthyl)Sulfonylamino]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-Dimethylamino-1-Naphthyl)Sulfonylamino]Pentyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₅₈H₇₅N₁₃O₁₄S₃
• Molecular Weight: 1274.49
• CAS Registry Number: 127290-94-2
• SMILES: C1=CC=C6C(=C1[S](=O)(=O)NCCCCC(NC(=O)C5N(C(=O)C2NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CCSSC2)CC3=CC=C(O)C=C3)CC4=CC=CC=C4)CCC(=O)N)CC(=O)N)CCC5)C(=O)NCC(=O)N)C=CC=C6N(C)C
• InChI: 1S/C58H75N13O14S3/c1-70(2)45-16-8-14-38-37(45)13-9-18-47(38)88(84,85)63-26-7-6-15-39(52(77)62-32-50(61)75)66-57(82)46-17-10-27-71(46)58(83)44-33-87-86-28-25-51(76)64-41(30-35-19-21-36(72)22-20-35)54(79)67-42(29-34-11-4-3-5-12-34)55(80)65-40(23-24-48(59)73)53(78)68-43(31-49(60)74)56(81)69-44/h3-5,8-9,11-14,16,18-22,39-44,46,63,72H,6-7,10,15,17,23-33H2,1-2H3,(H2,59,73)(H2,60,74)(H2,61,75)(H,62,77)(H,64,76)(H,65,80)(H,66,82)(H,67,79)(H,68,78)(H,69,81)
• InChIKey: MEGLHFWWXSVWEL-UHFFFAOYSA-N

Properties

• Density: 1.325g/cm³ (Cal.)