2-[[3-azanyl-1-(2-methanoylpyrrolidin-1-yl)-1-oxidanylidene-propan-2-yl]amino]-4-phenyl-butanoic acid

Systemtic Name: 2-[[3-azanyl-1-(2-methanoylpyrrolidin-1-yl)-1-oxidanylidene-propan-2-yl]amino]-4-phenyl-butanoic acid Openeye Name: 2-[[1-(aminomethyl)-2-(2-formylpyrrolidin-1-yl)-2-oxo-ethyl]amino]-4-phenyl-butanoic acid CAS Name: 2-[[3-amino-1-(2-formyl-1-pyrrolidinyl)-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid IUPAC Name: 2-[[3-amino-1-(2-formylpyrrolidin-1-yl)-1-oxopropan-2-yl]amino]-4-phenylbutanoic acid Traditional Name: 2-[[1-(aminomethyl)-2-(2-formylpyrrolidino)-2-keto-ethyl]amino]-4-phenyl-butyric acid Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CN)NC(CCC2=CC=CC=C2)C(=O)O)C=O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CN)NC(CCC2=CC=CC=C2)C(=O)O)C=O

InChI

InChI=1S/C18H25N3O4/c19-11-16(17(23)21-10-4-7-14(21)12-22)20-15(18(24)25)9-8-13-5-2-1-3-6-13/h1-3,5-6,12,14-16,20H,4,7-11,19H2,(H,24,25)