methyl (2S)-2-[4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[4-(5-methyl-1,3-dioxo-isoindolin-2-yl)butanoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[4-(5-methyl-1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[4-(1,3-diketo-5-methyl-isoindolin-2-yl)butanoylamino]-3-phenyl-propionic acid methyl ester Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H24N2O5/c1-15-10-11-17-18(13-15)22(28)25(21(17)27)12-6-9-20(26)24-19(23(29)30-2)14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,19H,6,9,12,14H2,1-2H3,(H,24,26)/t19-/m0/s1