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

Systemtic Name: 3-[[(2S)-1-[(3R)-3-azanyl-4-phenyl-butanoyl]pyrrolidin-2-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 3-[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]pyrrolidine-2-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 3-[[[(2S)-1-[(3R)-3-amino-1-oxo-4-phenylbutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 3-[[(2S)-1-[(3R)-3-amino-4-phenylbutanoyl]pyrrolidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 3-[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]prolyl]amino]cyclohexanecarboxylic acid Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)NC(=O)C2CCCN2C(=O)CC(CC3=CC=CC=C3)N)C(=O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C[C@@H](CC2=CC=CC=C2)N)C(=O)NC3CCCC(C3)C(=O)O

InChI

InChI=1S/C22H31N3O4/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/h1-3,6-7,16-19H,4-5,8-14,23H2,(H,24,27)(H,28,29)/t16?,17-,18?,19+/m1/s1