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Substance Name: 2-Oxa-4,7,12-triazatridecan-13-oic acid, 9-hydroxy-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,7R*,8R*,11R*))-
RN: 165314-96-5
InChIKey: RSJILQQJEHJEPZ-QJANCWQKSA-N

Molecular Formula

  • C36-H45-N5-O6-S2

Molecular Weight

  • 707.9125
 
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Names and Synonyms

  • 2-Oxa-4,7,12-triazatridecan-13-oic acid, 9-hydroxy-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,7R*,8R*,11R*))-

Registry Numbers

CAS Registry Number

  • 165314-96-5

System Generated Number

  • 0165314965

Structure Descriptors

InChI

1S/C36H45N5O6S2/c1-23(2)32(41-36(45)46-19-28-21-48-34(38-28)24(3)4)33(43)40-30(16-26-13-9-6-10-14-26)31(42)17-27(15-25-11-7-5-8-12-25)39-35(44)47-20-29-18-37-22-49-29/h5-14,18,21-24,27,30-32,42H,15-17,19-20H2,1-4H3,(H,39,44)(H,40,43)(H,41,45)/t27-,30-,31-,32-/m0/s1

InChIKey

RSJILQQJEHJEPZ-QJANCWQKSA-N

Smiles

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