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N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[4-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-L-methioninamide

Catalog ID
STL550834
SMILES CSCC[C@@H](C(=O)Nc1scc(n1)c1ccc2c(c1)NC(=O)CO2)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C37H39N5O8S2 MW 745.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H39N5O8S2/c1-19(43)38-24-9-6-21-15-31(47-2)34(48-3)35(49-4)33(21)22-8-10-25(29(44)16-23(22)24)39-26(12-13-51-5)36(46)42-37-41-28(18-52-37)20-7-11-30-27(14-20)40-32(45)17-50-30/h7-8,10-11,14-16,18,24,26H,6,9,12-13,17H2,1-5H3,(H,38,43)(H,39,44)(
InChIKey
WNTPJJDPXYNRIW-AHWVRZQESA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)4methylsulfanyl~(N)(4(3oxo4~(H)14benzoxazin6yl)13thiazol2yl)butanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)4(methylthio)N(4(3oxo34dihydro2Hbenzo(b)(14)oxazin6yl)thiazol2yl)butanamide
127252821
CSCC(C@@H)(C(=O)Nc1scc(n1)c1ccc2c(c1)NC(=O)CO2)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC37H39N5O8S2c119(43)382496211531(472)34(483)35(494)33(21)2281025(29(44)1623(22)24)3926(1213515)36(46)42374128(185237)207113027(1420)4032(45)175030h7810111416182426H69121317H215H3(H3843)(H3944)(H4045)(H414246)t2426m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4(3oxo34dihydro2H14benzoxazin6yl)13thiazol2yl)Lmethioninamide
ZINC000604405861
ZINC604405861

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Available files

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