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(2S)-[(6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}hexanoyl)amino](phenyl)ethanoic acid

Catalog ID
STL545186
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)N[C@@H](c1ccccc1)C(=O)O)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 C35H41N3O8 MW 631.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41N3O8/c1-21(39)37-26-16-14-23-19-29(44-2)33(45-3)34(46-4)31(23)24-15-17-27(28(40)20-25(24)26)36-18-10-6-9-13-30(41)38-32(35(42)43)22-11-7-5-8-12-22/h5,7-8,11-12,15,17,19-20,26,32H,6,9-10,13-14,16,18H2,1-4H3,(H,36,40)(H,37,39)(H,38,41)(H,42,4
InChIKey
YTOMEKYIFVWZMN-IEWVHIKDSA-N
Synonyms

(2~(S))2(6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)hexanoylamino)2phenylaceticacid
(2S)((6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanoyl)amino)(phenyl)ethanoicacid
(S)2(6(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)hexanamido)2phenylaceticacid
100002312
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)N(C@@H)(c1ccccc1)C(=O)O)NC(=O)C
InChI=1SC35H41N3O8c121(39)37261614231929(442)33(453)34(464)31(23)24151727(28(40)2025(24)26)361810691330(41)3832(35(42)43)22117581222h5781112151719202632H691013141618H214H3(H3640)(H3739)(H3841)(H4243)t2632m0s1
ZINC000218055413
ZINC218055413

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Available files

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