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Substance Name: 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-thiazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, (2-(1-methylethyl)-5-thiazolyl)methyl ester, (5S-(5R*,8R*,10R*,11R*))-
RN: 165315-18-4
InChIKey: HEZYAFMCCVEPCE-RONNFESSSA-N

Molecular Formula

  • C40-H54-N6-O5-S2

Molecular Weight

  • 763.0356
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 165315-18-4

System Generated Number

  • 0165315184

Structure Descriptors

InChI

1S/C40H54N6O5S2/c1-25(2)35(45-39(49)46(7)22-31-24-52-38(43-31)27(5)6)36(48)42-30(18-28-14-10-8-11-15-28)20-34(47)33(19-29-16-12-9-13-17-29)44-40(50)51-23-32-21-41-37(53-32)26(3)4/h8-17,21,24-27,30,33-35,47H,18-20,22-23H2,1-7H3,(H,42,48)(H,44,50)(H,45,49)/t30-,33-,34-,35-/m0/s1

InChIKey

HEZYAFMCCVEPCE-RONNFESSSA-N

Smiles

CC(C)c1ncc(s1)COC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)N(C)Cc4csc(n4)C(C)C)O