CAS 145644-16-2 | L-Alanine, N-[(1β,3α,5β,7α,12α)-1,3,7,12-tetrahydroxy-24-oxocholan-24-yl]- (9CI) | CAS Number 145644-16-2

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145644-16-2 | L-Alanine, N-[(1β,3α,5β,7α,12α)-1,3,7,12-tetrahydroxy-24-oxocholan-24-yl]- (9CI)

CAS No: 145644-16-2 Catalog No: AG001D8S MDL No:

Product Description

Catalog Number:

AG001D8S

Chemical Name:

L-Alanine, N-[(1β,3α,5β,7α,12α)-1,3,7,12-tetrahydroxy-24-oxocholan-24-yl]- (9CI)

CAS Number:

145644-16-2

Molecular Formula:

C27H45NO7

Molecular Weight:

495.6487

IUPAC Name:

(2S)-2-[[(4R)-4-[(1R,3S,5S,7R,10S,12S,13R,17R)-1,3,7,12-tetrahydroxy-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]amino]propanoic acid

InChI:

InChI=1S/C27H45NO7/c1-13(5-8-23(33)28-14(2)25(34)35)17-6-7-18-24-19(12-22(32)27(17,18)4)26(3)15(10-20(24)30)9-16(29)11-21(26)31/h13-22,24,29-32H,5-12H2,1-4H3,(H,28,33)(H,34,35)/t13-,14+,15+,16+,17-,18?,19?,20-,21-,22+,24?,26+,27-/m1/s1

InChI Key:

KHYZGCGRKWKJSL-ARRWNMQOSA-N

SMILES:

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