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(2S)-[(4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}butanoyl)amino](phenyl)ethanoic acid

Catalog ID
STL542912
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=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 C33H37N3O8 MW 603.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H37N3O8/c1-19(37)35-24-14-12-21-17-27(42-2)31(43-3)32(44-4)29(21)22-13-15-25(26(38)18-23(22)24)34-16-8-11-28(39)36-30(33(40)41)20-9-6-5-7-10-20/h5-7,9-10,13,15,17-18,24,30H,8,11-12,14,16H2,1-4H3,(H,34,38)(H,35,37)(H,36,39)(H,40,41)/t24-,30-/m0
InChIKey
KWYBZZXBLAESJZ-NGQVCNFZSA-N
Synonyms

(2~(S))2(4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)butanoylamino)2phenylaceticacid
(2S)((4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanoyl)amino)(phenyl)ethanoicacid
(S)2(4(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanamido)2phenylaceticacid
110207808
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)N(C@@H)(c1ccccc1)C(=O)O)NC(=O)C
InChI=1SC33H37N3O8c119(37)35241412211727(422)31(433)32(444)29(21)22131525(26(38)1823(22)24)341681128(39)3630(33(40)41)2096571020h57910131517182430H811121416H214H3(H3438)(H3537)(H3639)(H4041)t2430m0s1
ZINC000253408607
ZINC253408607

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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