4-[[[(2S)-1-(3-azanyl-4-phenyl-butanoyl)pyrrolidin-2-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[(2S)-1-(3-azanyl-4-phenyl-butanoyl)pyrrolidin-2-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[(2S)-1-(3-amino-4-phenyl-butanoyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[(2S)-1-(3-amino-1-oxo-4-phenylbutyl)-2-pyrrolidinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[(2S)-1-(3-amino-4-phenylbutanoyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[(2S)-1-(3-amino-4-phenyl-butanoyl)prolyl]amino]methyl]benzoic acid Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(CC2=CC=CC=C2)N)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CC(CC2=CC=CC=C2)N)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H27N3O4/c24-19(13-16-5-2-1-3-6-16)14-21(27)26-12-4-7-20(26)22(28)25-15-17-8-10-18(11-9-17)23(29)30/h1-3,5-6,8-11,19-20H,4,7,12-15,24H2,(H,25,28)(H,29,30)/t19?,20-/m0/s1