5-Thiazolylmethyl (3S,4S,6S,9S)-4-hydroxy-13-[2-(1-hydroxy-1-methylethyl)-4-thiazolyl]-12-methyl-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-2,7,10,12-tetraazatridecanoate
CAS Registry Number®
176655-56-4
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CAS Name
5-Thiazolylmethyl (3S,4S,6S,9S)-4-hydroxy-13-[2-(1-hydroxy-1-methylethyl)-4-thiazolyl]-12-methyl-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-2,7,10,12-tetraazatridecanoateMolecular Formula
C37H48N6O6S2Molecular Mass
736.94Cite this Page
5-Thiazolylmethyl (3S,4S,6S,9S)-4-hydroxy-13-[2-(1-hydroxy-1-methylethyl)-4-thiazolyl]-12-methyl-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-2,7,10,12-tetraazatridecanoate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=176655-56-4 (retrieved ) (CAS RN: 176655-56-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C37H48N6O6S2/c1-24(2)32(42-35(46)43(5)20-28-22-50-34(40-28)37(3,4)48)33(45)39-27(16-25-12-8-6-9-13-25)18-31(44)30(17-26-14-10-7-11-15-26)41-36(47)49-21-29-19-38-23-51-29/h6-15,19,22-24,27,30-32,44,48H,16-18,20-21H2,1-5H3,(H,39,45)(H,41,47)(H,42,46)/t27-,30-,31-,32-/m0/s1
InChIKey
InChIKey=CLEDZMPJHBBTNZ-QJANCWQKSA-N
SMILES
[C@H](CC1=CC=CC=C1)(C[C@@H]([C@H](CC2=CC=CC=C2)NC(OCC3=CN=CS3)=O)O)NC([C@@H](NC(N(CC=4N=C(C(C)(C)O)SC4)C)=O)C(C)C)=O
Canonical SMILES
O=C(OCC=1SC=NC1)NC(CC=2C=CC=CC2)C(O)CC(NC(=O)C(NC(=O)N(C)CC=3N=C(SC3)C(O)(C)C)C(C)C)CC=4C=CC=CC4
Other Names for this Substance
- 2,7,10,12-Tetraazatridecanoic acid, 4-hydroxy-13-[2-(1-hydroxy-1-methylethyl)-4-thiazolyl]-12-methyl-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S,4S,6S,9S)-
- 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-1-[2-(1-hydroxy-1-methylethyl)-4-thiazolyl]-2-methyl-5-(1-methylethyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-thiazolylmethyl ester, [5S-(5R*,8R*,10R*,11R*)]-
- 5-Thiazolylmethyl (3S,4S,6S,9S)-4-hydroxy-13-[2-(1-hydroxy-1-methylethyl)-4-thiazolyl]-12-methyl-9-(1-methylethyl)-8,11-dioxo-3,6-bis(phenylmethyl)-2,7,10,12-tetraazatridecanoate
