(1-Mercaptocyclohexaneacetic Acid)(1)-Ile(2)-Val(4)-Argipressin
[CAS# 81094-06-6]

Identification

• Name: (1-Mercaptocyclohexaneacetic Acid)(1)-Ile(2)-Val(4)-Argipressin
• Synonyms: (2S)-N-[(1S)-1-[(2-Amino-2-Oxo-Ethyl)Carbamoyl]-4-Guanidino-Butyl]-1-[(10R,13S,16S,19S,22R)-13-(2-Amino-2-Oxo-Ethyl)-16-Isopropyl-12,15,18,21,24-Pentaoxo-19-(Phenylmethyl)-22-Sec-Butyl-7,8-Dithia-11,14,17,20,23-Pentazaspiro[5.19]Pentacosane-10-Carbonyl]Pyrrolidine-2-Carboxamide; (2S)-N-[(1S)-1-[[(2-Amino-2-Oxoethyl)Amino]-Oxomethyl]-4-Guanidinobutyl]-1-[[(10R,13S,16S,19S,22R)-13-(2-Amino-2-Oxoethyl)-16-Isopropyl-12,15,18,21,24-Pentaoxo-19-(Phenylmethyl)-22-Sec-Butyl-7,8-Dithia-11,14,17,20,23-Pentazaspiro[5.19]Pentacosan-10-Yl]-Oxomethyl]-2-Pyrrolidinecarboxamide; (2S)-1-[(10R,13S,16S,19S,22R)-13-(2-Amino-2-Keto-Ethyl)-19-(Benzyl)-16-Isopropyl-12,15,18,21,24-Pentaketo-22-Sec-Butyl-7,8-Dithia-11,14,17,20,23-Pentazaspiro[5.19]Pentacosane-10-Carbonyl]-N-[(1S)-1-[(2-Amino-2-Keto-Ethyl)Carbamoyl]-4-Guanidino-Butyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₄₈H₇₅N₁₃O₁₀S₂
• Molecular Weight: 1058.32
• CAS Registry Number: 81094-06-6
• SMILES: [C@@H]1(N(CCC1)C(=O)[C@H]2NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CC3(SSC2)CCCCC3)[C@H](CC)C)CC4=CC=CC=C4)C(C)C)CC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N
• InChI: 1S/C48H75N13O10S2/c1-5-28(4)39-45(70)56-31(22-29-14-8-6-9-15-29)42(67)60-38(27(2)3)44(69)57-32(23-35(49)62)41(66)58-33(26-72-73-48(24-37(64)59-39)18-10-7-11-19-48)46(71)61-21-13-17-34(61)43(68)55-30(16-12-20-53-47(51)52)40(65)54-25-36(50)63/h6,8-9,14-15,27-28,30-34,38-39H,5,7,10-13,16-26H2,1-4H3,(H2,49,62)(H2,50,63)(H,54,65)(H,55,68)(H,56,70)(H,57,69)(H,58,66)(H,59,64)(H,60,67)(H4,51,52,53)/t28-,30-,31-,32-,33-,34-,38-,39+/m0/s1
• InChIKey: GEDADTLYAYNOHV-GITLXGQASA-N

Properties

• Density: 1.456g/cm³ (Cal.)