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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-[(1-methyl-1H-imidazol-2-yl)(phenyl)methyl]-L-isoleucinamide

Catalog ID
STL550510
SMILES CC[C@H]([C@@H](C(=O)NC(c1nccn1C)c1ccccc1)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 C38H45N5O6 MW 667.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H45N5O6/c1-8-22(2)33(38(46)42-34(24-12-10-9-11-13-24)37-39-18-19-43(37)4)41-29-17-15-26-27(21-30(29)45)28(40-23(3)44)16-14-25-20-31(47-5)35(48-6)36(49-7)32(25)26/h9-13,15,17-22,28,33-34H,8,14,16H2,1-7H3,(H,40,44)(H,41,45)(H,42,46)/t22-,28+,33+
InChIKey
UVXHQVPGBURFJL-ZHCBYTMWSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)((1methylimidazol2yl)phenylmethyl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN((1methyl1Himidazol2yl)(phenyl)methyl)pentanamide
127253573
CC(C@H)((C@@H)(C(=O)NC(c1nccn1C)c1ccccc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC38H45N5O6c1822(2)33(38(46)4234(2412109111324)3739181943(37)4)412917152627(2130(29)45)28(4023(3)44)1614252031(475)35(486)36(497)32(25)26h913151722283334H81416H217H3(H4044)(H4145)(H4246)t2228+33+34?m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N((1methyl1Himidazol2yl)(phenyl)methyl)Lisoleucinamide
ZINC000604405048
ZINC000604405049

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Available files

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