ethyl 4-azanyl-5-[[1-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: ethyl 4-azanyl-5-[[1-[(2-ethoxy-2-oxidanylidene-ethyl)-phenyl-amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: ethyl 4-amino-5-[[1-(benzylsulfanylmethyl)-2-(N-(2-ethoxy-2-oxo-ethyl)anilino)-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: 4-amino-5-[[1-(N-(2-ethoxy-2-oxoethyl)anilino)-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 4-amino-5-[[3-benzylsulfanyl-1-(N-(2-ethoxy-2-oxoethyl)anilino)-1-oxopropan-2-yl]amino]-5-oxopentanoate Traditional Name: 4-amino-5-[[1-[(benzylthio)methyl]-2-(N-(2-ethoxy-2-keto-ethyl)anilino)-2-keto-ethyl]amino]-5-keto-valeric acid ethyl ester Formula: C27H35N3O6S MolecularWeight: 529.6483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)N(CC(=O)OCC)C2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)CCC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)N(CC(=O)OCC)C2=CC=CC=C2)N

InChI

InChI=1S/C27H35N3O6S/c1-3-35-24(31)16-15-22(28)26(33)29-23(19-37-18-20-11-7-5-8-12-20)27(34)30(17-25(32)36-4-2)21-13-9-6-10-14-21/h5-14,22-23H,3-4,15-19,28H2,1-2H3,(H,29,33)