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Substance Name: Ro 31-8458
RN: 128019-16-9
InChIKey: BWLPGRRDAWVDGO-OJJQZRKESA-N

Molecular Formula

  • C30-H41-N5-O6-S

Molecular Weight

  • 599.7489
 
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Names and Synonyms

Results Name

  • Ro 31-8458

Synonym

  • Ro31-8458

Systematic Name

  • Carbamic acid, ((1S)-3-amino-1-((((1S,2R)-3-((4R)-4-(((1,1-dimethylethyl)amino)carbonyl)-3-thiazolidinyl)-2-hydroxy-1-(phenylmethyl)propyl)amino)carbonyl)-3-oxopropyl)-, phenylmethyl ester

Registry Numbers

CAS Registry Number

  • 128019-16-9

System Generated Number

  • 0128019169

Structure Descriptors

InChI

1S/C30H41N5O6S/c1-30(2,3)34-28(39)24-18-42-19-35(24)16-25(36)22(14-20-10-6-4-7-11-20)32-27(38)23(15-26(31)37)33-29(40)41-17-21-12-8-5-9-13-21/h4-13,22-25,36H,14-19H2,1-3H3,(H2,31,37)(H,32,38)(H,33,40)(H,34,39)/t22-,23-,24-,25+/m0/s1

InChIKey

BWLPGRRDAWVDGO-OJJQZRKESA-N

Smiles

CC(C)(C)NC(=O)[C@@H]1CSCN1C[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)N)NC(=O)OCc3ccccc3)O