1-Deamino-4-Val-8-Arg-Vasopressin
[CAS# 51980-16-6]

Identification

• Name: 1-Deamino-4-Val-8-Arg-Vasopressin
• Synonyms: 1-Deamino-4-Val-8-Arg-Vasopressin; 1-Deamino-4-Valyl-8-Arginine Vasopressin; Dvdavp
• Molecular Formula: C₄₆H₆₅N₁₃O₁₁S₂
• Molecular Weight: 1040.22
• CAS Registry Number: 51980-16-6
• SMILES: [C@H](NC(=O)CC)(CC13SC1C2SC2(O)C=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N5[C@@H](CCC5)C(=O)N[C@@H](C\C=C/N=C(N)N)C(=O)NCC(=O)N)C)CC(=O)N
• InChI: 1S/C46H65N13O11S2/c1-5-33(62)54-29(21-45-15-16-46(70)36(72-46)35(45)71-45)40(66)56-27(19-25-11-7-6-8-12-25)39(65)58-34(23(2)3)42(68)57-28(20-31(47)60)38(64)53-24(4)43(69)59-18-10-14-30(59)41(67)55-26(13-9-17-51-44(49)50)37(63)52-22-32(48)61/h6-9,11-12,15-17,23-24,26-30,34-36,70H,5,10,13-14,18-22H2,1-4H3,(H2,47,60)(H2,48,61)(H,52,63)(H,53,64)(H,54,62)(H,55,67)(H,56,66)(H,57,68)(H,58,65)(H4,49,50,51)/b17-9-/t24-,26-,27-,28-,29-,30-,34-,35?,36?,45?,46?/m0/s1
• InChIKey: KTPUTUVNZXFASQ-OXRKDOEDSA-N

Properties

• Density: 1.555g/cm³ (Cal.)