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

Catalog ID
STL546617
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)N[C@H](C(=O)O)Cc2ccccc2)C(C)C)NC(=O)C)cc(c1OC)OC

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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 C35H41N3O8 MW 631.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N3O8/c1-19(2)31(34(41)38-27(35(42)43)16-21-10-8-7-9-11-21)37-26-15-13-23-24(18-28(26)40)25(36-20(3)39)14-12-22-17-29(44-4)32(45-5)33(46-6)30(22)23/h7-11,13,15,17-19,25,27,31H,12,14,16H2,1-6H3,(H,36,39)(H,37,40)(H,38,41)(H,42,43)/t25-,27-,31
InChIKey
IUULJNHYDLTMQF-ZXRRJQOQSA-N
Synonyms

(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)amino)3phenylpropanoicacid
(S)2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamido)3phenylpropanoicacid
110207763
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)N(C@H)(C(=O)O)Cc2ccccc2)C(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC35H41N3O8c119(2)31(34(41)3827(35(42)43)1621108791121)372615132324(1828(26)40)25(3620(3)39)1412221729(444)32(455)33(466)30(22)23h71113151719252731H121416H216H3(H3639)(H3740)(H3841)(H4243)t252731m0s1
N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)LvalylLphenylalanine
ZINC000253406286
ZINC253406286

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Available files

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