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Substance Name: 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-(1-ethylpropyl)-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-
RN: 165315-17-3
InChIKey: GDPWDNJJVZDXAY-RONNFESSSA-N

Molecular Formula

  • C39-H52-N6-O5-S2

Molecular Weight

  • 749.0088
 
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Names and Synonyms

  • 2,4,7,12-Tetraazatridecan-13-oic acid, 1-(2-(1-ethylpropyl)-4-thiazolyl)-10-hydroxy-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-

Registry Numbers

CAS Registry Number

  • 165315-17-3

System Generated Number

  • 0165315173

Structure Descriptors

InChI

1S/C39H52N6O5S2/c1-6-29(7-2)37-42-31(24-51-37)22-45(5)38(48)44-35(26(3)4)36(47)41-30(18-27-14-10-8-11-15-27)20-34(46)33(19-28-16-12-9-13-17-28)43-39(49)50-23-32-21-40-25-52-32/h8-17,21,24-26,29-30,33-35,46H,6-7,18-20,22-23H2,1-5H3,(H,41,47)(H,43,49)(H,44,48)/t30-,33-,34-,35-/m0/s1

InChIKey

GDPWDNJJVZDXAY-RONNFESSSA-N

Smiles

CCC(CC)c1nc(cs1)CN(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