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Substance Name: 2-Oxa-4,9,12-triazatridecan-13-oic acid, 6-hydroxy-11-(1-methylethyl)-3,10-dioxo-5,8-bis(phenylmethyl)-1-(5-thiazolyl)-, 1-((2-(1-methylethyl)-4-thiazolyl)methyl)hydrazide, monohydrochloride, (5S-(5R*,6R*,8R*,11R*))-
RN: 165315-36-6
InChIKey: VPCVPKADSFJGMI-QJANCWQKSA-N

Molecular Formula

  • C36-H47-N7-O5-S2

Molecular Weight

  • 721.9433
 
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Names and Synonyms

  • 2-Oxa-4,9,12-triazatridecan-13-oic acid, 6-hydroxy-11-(1-methylethyl)-3,10-dioxo-5,8-bis(phenylmethyl)-1-(5-thiazolyl)-, 1-((2-(1-methylethyl)-4-thiazolyl)methyl)hydrazide, monohydrochloride, (5S-(5R*,6R*,8R*,11R*))-

Registry Numbers

CAS Registry Number

  • 165315-36-6

System Generated Number

  • 0165315366

Structure Descriptors

InChI

1S/C36H47N7O5S2/c1-23(2)32(42-35(46)43(37)19-28-21-49-34(40-28)24(3)4)33(45)39-27(15-25-11-7-5-8-12-25)17-31(44)30(16-26-13-9-6-10-14-26)41-36(47)48-20-29-18-38-22-50-29/h5-14,18,21-24,27,30-32,44H,15-17,19-20,37H2,1-4H3,(H,39,45)(H,41,47)(H,42,46)/t27-,30-,31-,32-/m0/s1

InChIKey

VPCVPKADSFJGMI-QJANCWQKSA-N

Smiles

CC(C)c1nc(cs1)CN(C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O)N