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

Catalog ID
STL542785
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)N[C@@H](c1ccccc1)C(=O)O)C)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 C32H35N3O8 MW 589.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35N3O8/c1-17(31(38)35-28(32(39)40)19-9-7-6-8-10-19)33-24-14-12-21-22(16-25(24)37)23(34-18(2)36)13-11-20-15-26(41-3)29(42-4)30(43-5)27(20)21/h6-10,12,14-17,23,28H,11,13H2,1-5H3,(H,33,37)(H,34,36)(H,35,38)(H,39,40)/t17-,23-,28-/m0/s1
InChIKey
SBSMLFPQABXQCW-IYRXFJASSA-N
Synonyms

(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)propanoyl)amino)2phenylaceticacid
(2S)((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lalanyl)amino)(phenyl)ethanoicacid
(S)2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)propanamido)2phenylaceticacid
110208038
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)N(C@H)(C(=O)N(C@@H)(c1ccccc1)C(=O)O)C)NC(=O)C
InChI=1SC32H35N3O8c117(31(38)3528(32(39)40)1997681019)332414122122(1625(24)37)23(3418(2)36)1311201526(413)29(424)30(435)27(20)21h6101214172328H1113H215H3(H3337)(H3436)(H3538)(H3940)t172328m0s1
ZINC000253412801
ZINC253412801

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Available files

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

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