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

Systemtic Name: 2-[[(2S)-1-[(3R)-3-azanyl-4-phenyl-butanoyl]pyrrolidin-2-yl]carbonylamino]benzoic acid Openeye Name: 2-[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 2-[[[(2S)-1-[(3R)-3-amino-1-oxo-4-phenylbutyl]-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[(2S)-1-[(3R)-3-amino-4-phenylbutanoyl]pyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 2-[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]prolyl]amino]benzoic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CC(CC2=CC=CC=C2)N)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C[C@@H](CC2=CC=CC=C2)N)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H25N3O4/c23-16(13-15-7-2-1-3-8-15)14-20(26)25-12-6-11-19(25)21(27)24-18-10-5-4-9-17(18)22(28)29/h1-5,7-10,16,19H,6,11-14,23H2,(H,24,27)(H,28,29)/t16-,19+/m1/s1