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Substance Name: 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2,5-dimethyl-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-
RN: 165314-93-2
InChIKey: YPNXNHKRONMOHU-WQMHXLODSA-N

Molecular Formula

  • C35-H44-N6-O5-S2

Molecular Weight

  • 692.9016
 
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Names and Synonyms

  • 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2,5-dimethyl-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-

Registry Numbers

CAS Registry Number

  • 165314-93-2

System Generated Number

  • 0165314932

Structure Descriptors

InChI

1S/C35H44N6O5S2/c1-23(2)33-39-28(21-47-33)19-41(4)34(44)37-24(3)32(43)38-27(15-25-11-7-5-8-12-25)17-31(42)30(16-26-13-9-6-10-14-26)40-35(45)46-20-29-18-36-22-48-29/h5-14,18,21-24,27,30-31,42H,15-17,19-20H2,1-4H3,(H,37,44)(H,38,43)(H,40,45)/t24-,27-,30-,31-/m0/s1

InChIKey

YPNXNHKRONMOHU-WQMHXLODSA-N

Smiles

C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)OCc3cncs3)O)NC(=O)N(C)Cc4csc(n4)C(C)C