CAS 125347-55-9 | Glycine, N-[N-[(3α,5β,7β)-3,7-dihydroxy-24-oxocholan-24-yl]-N-methylglycyl]-N-methyl- (9CI) | CAS Number 125347-55-9

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125347-55-9 | Glycine, N-[N-[(3α,5β,7β)-3,7-dihydroxy-24-oxocholan-24-yl]-N-methylglycyl]-N-methyl- (9CI)

CAS No: 125347-55-9 Catalog No: AG000NIY MDL No:

Product Description

Catalog Number:

AG000NIY

Chemical Name:

Glycine, N-[N-[(3α,5β,7β)-3,7-dihydroxy-24-oxocholan-24-yl]-N-methylglycyl]-N-methyl- (9CI)

CAS Number:

125347-55-9

Molecular Formula:

C30H50N2O6

Molecular Weight:

534.7278

IUPAC Name:

2-[[2-[[(4R)-4-[(3R,5S,7S,10S,13R,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]-methylamino]acetyl]-methylamino]acetic acid

InChI:

InChI=1S/C30H50N2O6/c1-18(6-9-25(35)31(4)16-26(36)32(5)17-27(37)38)21-7-8-22-28-23(11-13-30(21,22)3)29(2)12-10-20(33)14-19(29)15-24(28)34/h18-24,28,33-34H,6-17H2,1-5H3,(H,37,38)/t18-,19+,20-,21-,22?,23?,24+,28?,29+,30-/m1/s1

InChI Key:

NYZUPUYHLQFXIW-BXZRAMIWSA-N

SMILES:

O[C@@H]1CC[C@]2([C@@H](C1)C[C@@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)N(CC(=O)N(CC(=O)O)C)C)C)C)O)C