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Substance Name: 2,5,8,14-Tetraazapentadecan-15-oic acid, 10-(1,3-benzodioxol-5-ylmethyl)-12-hydroxy-2-methyl-7-(1-methylethyl)-6,9-dioxo-13-(phenylmethyl)-, 1,1-dimethylethyl ester, (7S-(7R*,10S*,12R*,13R*))-
RN: 181038-60-8
InChIKey: YSQWKWIUGACZOY-VEAWFHDZSA-N

Molecular Formula

  • C34-H50-N4-O7

Molecular Weight

  • 626.79
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 181038-60-8

System Generated Number

  • 0181038608

Structure Descriptors

InChI

1S/C34H50N4O7/c1-22(2)30(32(41)35-15-16-38(6)7)37-31(40)25(17-24-13-14-28-29(19-24)44-21-43-28)20-27(39)26(18-23-11-9-8-10-12-23)36-33(42)45-34(3,4)5/h8-14,19,22,25-27,30,39H,15-18,20-21H2,1-7H3,(H,35,41)(H,36,42)(H,37,40)/t25-,26+,27+,30+/m1/s1

InChIKey

YSQWKWIUGACZOY-VEAWFHDZSA-N

Smiles

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