(2R)-2-AMINO-3-(((8R,9S,10R,13S,14S,17S)-17-HYDROXY-10,13-DIMETHYL-3-OXO-6,7,8,9,11,12,14,15,16,17-DECAHYDROCYCLOPENTA(A)PHENANTHREN-6-YL)METHYLSULFANYL)PROPANOIC ACID

Details

Stereochemistry	EPIMERIC
Molecular Formula	C23H33NO4S
Molecular Weight	419.577
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2R)-2-AMINO-3-(((8R,9S,10R,13S,14S,17S)-17-HYDROXY-10,13-DIMETHYL-3-OXO-6,7,8,9,11,12,14,15,16,17-DECAHYDROCYCLOPENTA(A)PHENANTHREN-6-YL)METHYLSULFANYL)PROPANOIC ACID

Structure Search

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC(CSC[C@H](N)C(O)=O)C4=CC(=O)C=C[C@]34C

InChI

InChIKey=QAHCDNLCHOMRLV-AXLJBRBOSA-N

InChI=1S/C23H33NO4S/c1-22-7-5-14(25)10-18(22)13(11-29-12-19(24)21(27)28)9-15-16-3-4-20(26)23(16,2)8-6-17(15)22/h5,7,10,13,15-17,19-20,26H,3-4,6,8-9,11-12,24H2,1-2H3,(H,27,28)/t13?,15-,16-,17-,19-,20-,22+,23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2R)-2-AMINO-3-(((8R,9S,10R,13S,14S,17S)-17-HYDROXY-10,13-DIMETHYL-3-OXO-6,7,8,9,11,12,14,15,16,17-DECAHYDROCYCLOPENTA(A)PHENANTHREN-6-YL)METHYLSULFANYL)PROPANOIC ACID

Systematic Name

English

6-17.BETA.-DHE-CYS

Common Name

English

6-METHYLCYSTEINYLANDROSTA-1,4-DIENE-17.BETA.-HYDROXY-3-ONE

Common Name

English

Code System Code Type Description

FDA UNII

BTG9DBT2ZB

Created by admin on Sat Dec 16 16:38:59 GMT 2023 , Edited by admin on Sat Dec 16 16:38:59 GMT 2023