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ethyl 4-{N-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-L-valyl}piperazine-1-carboxylate

Catalog ID
STL542113
SMILES CCOC(=O)N1CCN(CC1)C(=O)[C@H](C(C)C)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)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 C33H44N4O8 MW 624.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N4O8/c1-8-45-33(41)37-15-13-36(14-16-37)32(40)29(19(2)3)35-25-12-10-22-23(18-26(25)39)24(34-20(4)38)11-9-21-17-27(42-5)30(43-6)31(44-7)28(21)22/h10,12,17-19,24,29H,8-9,11,13-16H2,1-7H3,(H,34,38)(H,35,39)/t24-,29-/m0/s1
InChIKey
FELJEEHPNPAKCJ-OUTSHDOLSA-N
Synonyms
1574293-15-4
1574293154
75492408
CCOC(=O)N1CCN(CC1)C(=O)(C@H)(C(C)C)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
ethyl4((2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methylbutanoyl)piperazine1carboxylate
ethyl4((S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylbutanoyl)piperazine1carboxylate
ethyl4(N((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)Lvalyl)piperazine1carboxylate
InChI=1SC33H44N4O8c184533(41)37151336(141637)32(40)29(19(2)3)352512102223(1826(25)39)24(3420(4)38)119211727(425)30(436)31(447)28(21)22h101217192429H89111316H217H3(H3438)(H3539)t2429m0s1
ZINC000108451089
ZINC108451089

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Available files

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