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Substance Name: 2,7,10,12-Tetraazatetradecanoic acid, 12-((2-cyclopentyl-4-thiazolyl)methyl)-4-hydroxy-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))-
RN: 165315-33-3
InChIKey: FQUCVUSATYMWLJ-SNZVYYTPSA-N

Molecular Formula

  • C40-H52-N6-O5-S2

Molecular Weight

  • 761.0198
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 165315-33-3

System Generated Number

  • 0165315333

Structure Descriptors

InChI

1S/C40H52N6O5S2/c1-4-46(23-32-25-52-38(43-32)30-17-11-12-18-30)39(49)45-36(27(2)3)37(48)42-31(19-28-13-7-5-8-14-28)21-35(47)34(20-29-15-9-6-10-16-29)44-40(50)51-24-33-22-41-26-53-33/h5-10,13-16,22,25-27,30-31,34-36,47H,4,11-12,17-21,23-24H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t31-,34-,35-,36-/m0/s1

InChIKey

FQUCVUSATYMWLJ-SNZVYYTPSA-N

Smiles

CCN(Cc1csc(n1)C2CCCC2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc3ccccc3)C[C@@H]([C@H](Cc4ccccc4)NC(=O)OCc5cncs5)O