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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-valyl}amino)(phenyl)ethanoic acid

Catalog ID
STL544312
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(C)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 C34H39N3O8 MW 617.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H39N3O8/c1-18(2)29(33(40)37-30(34(41)42)20-10-8-7-9-11-20)36-25-15-13-22-23(17-26(25)39)24(35-19(3)38)14-12-21-16-27(43-4)31(44-5)32(45-6)28(21)22/h7-11,13,15-18,24,29-30H,12,14H2,1-6H3,(H,35,38)(H,36,39)(H,37,40)(H,41,42)/t24-,29-,30-/m0/s1
InChIKey
LLIVNRHZFWVTTA-YDZBWFOPSA-N
Synonyms

(2~(S))2(((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)amino)2phenylaceticacid
(2S)((N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lvalyl)amino)(phenyl)ethanoicacid
(S)2((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanamido)2phenylaceticacid
110206804
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)N(C@H)(C(=O)N(C@@H)(c1ccccc1)C(=O)O)C(C)C)NC(=O)C
InChI=1SC34H39N3O8c118(2)29(33(40)3730(34(41)42)20108791120)362515132223(1726(25)39)24(3519(3)38)1412211627(434)31(445)32(456)28(21)22h711131518242930H1214H216H3(H3538)(H3639)(H3740)(H4142)t242930m0s1
ZINC000253409123
ZINC253409123

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Available files

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