Cholylglycylhistamine
[CAS# 61601-56-7]

Identification

• Name: Cholylglycylhistamine
• Synonyms: (4R)-N-[2-[2-(3H-Imidazol-4-Yl)Ethylamino]-2-Oxo-Ethyl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanamide; (4R)-N-[2-[2-(3H-Imidazol-4-Yl)Ethylamino]-2-Keto-Ethyl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Trihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Valeramide; Cholan-24-Amide, 3,7,12-Trihydroxy-N-(2-((2-(1H-Imidazol-4-Yl)Ethyl)Amino)-2-Oxoethyl)-, (3Alpha,5Beta,7Alpha,12Alpha)-
• Molecular Formula: C₃₁H₅₀N₄O₅
• Molecular Weight: 558.76
• CAS Registry Number: 61601-56-7
• SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2([C@H](C[C@H]1O)C[C@H](O)CC2)C)C[C@@H]3O)CC[C@@H]4[C@@H](CCC(=O)NCC(=O)NCCC5=CN=C[NH]5)C)C
• InChI: 1S/C31H50N4O5/c1-18(4-7-27(39)34-16-28(40)33-11-9-20-15-32-17-35-20)22-5-6-23-29-24(14-26(38)31(22,23)3)30(2)10-8-21(36)12-19(30)13-25(29)37/h15,17-19,21-26,29,36-38H,4-14,16H2,1-3H3,(H,32,35)(H,33,40)(H,34,39)/t18-,19+,21-,22-,23+,24+,25-,26+,29+,30+,31-/m1/s1
• InChIKey: CVPMVIIGWUJJCW-NISYCDKASA-N