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Substance Name: 2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))-
RN: 165315-27-5
InChIKey: SCLFVFBEHIWYHC-RONNFESSSA-N

Molecular Formula

  • C39-H52-N6-O5-S2

Molecular Weight

  • 749.0088
 
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Names and Synonyms

  • 2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))-

Registry Numbers

CAS Registry Number

  • 165315-27-5

System Generated Number

  • 0165315275

Structure Descriptors

InChI

1S/C39H52N6O5S2/c1-6-17-45(22-31-24-51-37(42-31)27(4)5)38(48)44-35(26(2)3)36(47)41-30(18-28-13-9-7-10-14-28)20-34(46)33(19-29-15-11-8-12-16-29)43-39(49)50-23-32-21-40-25-52-32/h7-16,21,24-27,30,33-35,46H,6,17-20,22-23H2,1-5H3,(H,41,47)(H,43,49)(H,44,48)/t30-,33-,34-,35-/m0/s1

InChIKey

SCLFVFBEHIWYHC-RONNFESSSA-N

Smiles

CCCN(Cc1csc(n1)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)OCc4cncs4)O