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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-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl}-L-isoleucinamide

Catalog ID
STL546419
SMILES CC[C@H]([C@@H](C(=O)Nc1scc(n1)CC(=O)NC)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 C33H41N5O7S MW 651.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H41N5O7S/c1-8-17(2)29(32(42)38-33-36-20(16-46-33)14-27(41)34-4)37-24-12-10-21-22(15-25(24)40)23(35-18(3)39)11-9-19-13-26(43-5)30(44-6)31(45-7)28(19)21/h10,12-13,15-17,23,29H,8-9,11,14H2,1-7H3,(H,34,41)(H,35,39)(H,37,40)(H,36,38,42)/t17-,23+,29
InChIKey
ZLHQUDIGQQYRSZ-GVQLWFBZSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(4(2(methylamino)2oxoethyl)13thiazol2yl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(4(2(methylamino)2oxoethyl)thiazol2yl)pentanamide
121541752
CC(C@H)((C@@H)(C(=O)Nc1scc(n1)CC(=O)NC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC33H41N5O7Sc1817(2)29(32(42)38333620(164633)1427(41)344)372412102122(1525(24)40)23(3518(3)39)119191326(435)30(446)31(457)28(19)21h10121315172329H891114H217H3(H3441)(H3539)(H3740)(H363842)t1723+29+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(4(2(methylamino)2oxoethyl)13thiazol2yl)Lisoleucinamide
ZINC000263586909
ZINC263586909

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Available files

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