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N-[4-(acetylamino)phenyl]-N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-isoleucinamide

Catalog ID
STL542271
SMILES CC[C@H]([C@@H](C(=O)Nc1ccc(cc1)NC(=O)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C35H42N4O7 MW 630.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H42N4O7/c1-8-19(2)32(35(43)38-24-12-10-23(11-13-24)36-20(3)40)39-28-16-14-25-26(18-29(28)42)27(37-21(4)41)15-9-22-17-30(44-5)33(45-6)34(46-7)31(22)25/h10-14,16-19,27,32H,8-9,15H2,1-7H3,(H,36,40)(H,37,41)(H,38,43)(H,39,42)/t19-,27+,32+/m1/s1
InChIKey
XXFLSMQIECWWAG-CKTVZQCPSA-N
Synonyms
1574351-55-5
(2~(S)3~(R))~(N)(4acetamidophenyl)2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylpentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4acetamidophenyl)3methylpentanamide
1574351555
75492495
CC(C@H)((C@@H)(C(=O)Nc1ccc(cc1)NC(=O)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC35H42N4O7c1819(2)32(35(43)3824121023(111324)3620(3)40)392816142526(1829(28)42)27(3721(4)41)159221730(445)33(456)34(467)31(22)25h101416192732H8915H217H3(H3640)(H3741)(H3843)(H3942)t1927+32+m1s1
N(4(acetylamino)phenyl)N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lisoleucinamide
ZINC000108451327
ZINC108451327

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Available files

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