(3S)-4-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]-3-phenyl-butanoate

Systemtic Name: (3S)-4-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]-3-phenyl-butanoate Openeye Name: (3S)-4-[6-(1,3-dioxoisoindolin-2-yl)hexanoylamino]-3-phenyl-butanoate CAS Name: (3S)-4-[[6-(1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]-3-phenylbutanoate IUPAC Name: (3S)-4-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]-3-phenylbutanoate Traditional Name: (3S)-3-phenyl-4-(6-phthalimidohexanoylamino)butyrate Formula: C24H25N2O5- MolecularWeight: 421.4657

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)[O-])CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)[O-])CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C24H26N2O5/c27-21(25-16-18(15-22(28)29)17-9-3-1-4-10-17)13-5-2-8-14-26-23(30)19-11-6-7-12-20(19)24(26)31/h1,3-4,6-7,9-12,18H,2,5,8,13-16H2,(H,25,27)(H,28,29)/p-1/t18-/m1/s1