3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 3-[[4-(isoindolin-5-ylamino)-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[4-(2,3-dihydro-1H-isoindol-5-ylamino)-4-oxobutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[4-(isoindolin-5-ylamino)-4-keto-butanoyl]amino]-3-phenyl-propionic acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1)C=C(C=C2)NC(=O)CCC(=O)NC(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1C2=C(CN1)C=C(C=C2)NC(=O)CCC(=O)NC(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O4/c25-19(23-17-7-6-15-12-22-13-16(15)10-17)8-9-20(26)24-18(11-21(27)28)14-4-2-1-3-5-14/h1-7,10,18,22H,8-9,11-13H2,(H,23,25)(H,24,26)(H,27,28)