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Substance Name: 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 10-(1,3-benzodioxol-5-ylmethyl)-12-hydroxy-7-(1-methylethyl)-6,9-dioxo-13-(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-
RN: 178047-82-0
InChIKey: SBXQRIQMHKPGQA-NVGWLYTESA-N

Molecular Formula

  • C33-H47-N3-O8

Molecular Weight

  • 613.7473
 
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Names and Synonyms

  • 2-Oxa-5,8,14-triazapentadecan-15-oic acid, 10-(1,3-benzodioxol-5-ylmethyl)-12-hydroxy-7-(1-methylethyl)-6,9-dioxo-13-(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-

Registry Numbers

CAS Registry Number

  • 178047-82-0

System Generated Number

  • 0178047820

Structure Descriptors

InChI

1S/C33H47N3O8/c1-21(2)29(31(39)34-14-15-41-6)36-30(38)24(16-23-12-13-27-28(18-23)43-20-42-27)19-26(37)25(17-22-10-8-7-9-11-22)35-32(40)44-33(3,4)5/h7-13,18,21,24-26,29,37H,14-17,19-20H2,1-6H3,(H,34,39)(H,35,40)(H,36,38)/t24-,25+,26+,29+/m1/s1

InChIKey

SBXQRIQMHKPGQA-NVGWLYTESA-N

Smiles

CC(C)[C@@H](C(=O)NCCOC)NC(=O)[C@H](Cc1ccc2c(c1)OCO2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)O