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

Systemtic Name: 3-[[(2S)-1-[(3R)-3-azanyl-4-phenyl-butanoyl]pyrrolidin-2-yl]carbonylamino]benzoic acid Openeye Name: 3-[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]pyrrolidine-2-carbonyl]amino]benzoic acid CAS Name: 3-[[[(2S)-1-[(3R)-3-amino-1-oxo-4-phenylbutyl]-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[(2S)-1-[(3R)-3-amino-4-phenylbutanoyl]pyrrolidine-2-carbonyl]amino]benzoic acid Traditional Name: 3-[[(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(=C3)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C[C@@H](CC2=CC=CC=C2)N)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C22H25N3O4/c23-17(12-15-6-2-1-3-7-15)14-20(26)25-11-5-10-19(25)21(27)24-18-9-4-8-16(13-18)22(28)29/h1-4,6-9,13,17,19H,5,10-12,14,23H2,(H,24,27)(H,28,29)/t17-,19+/m1/s1