2-[1-(2-azanylpropanoyl)-2-(3-oxidanylpropoxycarbonyl)pyrrolidin-2-yl]-4-phenyl-butanoic acid

Systemtic Name: 2-[1-(2-azanylpropanoyl)-2-(3-oxidanylpropoxycarbonyl)pyrrolidin-2-yl]-4-phenyl-butanoic acid Openeye Name: 2-[1-(2-aminopropanoyl)-2-(3-hydroxypropoxycarbonyl)pyrrolidin-2-yl]-4-phenyl-butanoic acid CAS Name: 2-[1-(2-amino-1-oxopropyl)-2-[3-hydroxypropoxy(oxo)methyl]-2-pyrrolidinyl]-4-phenylbutanoic acid IUPAC Name: 2-[1-(2-aminopropanoyl)-2-(3-hydroxypropoxycarbonyl)pyrrolidin-2-yl]-4-phenylbutanoic acid Traditional Name: 2-[1-alanyl-2-(3-hydroxypropoxycarbonyl)pyrrolidin-2-yl]-4-phenyl-butyric acid Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1(C(CCC2=CC=CC=C2)C(=O)O)C(=O)OCCCO)N

Isomeric SMILES

CC(C(=O)N1CCCC1(C(CCC2=CC=CC=C2)C(=O)O)C(=O)OCCCO)N

InChI

InChI=1S/C21H30N2O6/c1-15(22)18(25)23-12-5-11-21(23,20(28)29-14-6-13-24)17(19(26)27)10-9-16-7-3-2-4-8-16/h2-4,7-8,15,17,24H,5-6,9-14,22H2,1H3,(H,26,27)