methyl 2-[[(2S)-1-[(3R)-3-azanyl-4-phenyl-butanoyl]pyrrolidin-2-yl]carbonylamino]cyclopentane-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCC1NC(=O)C2CCCN2C(=O)CC(CC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1CCCC1NC(=O)[C@@H]2CCCN2C(=O)C[C@@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C22H31N3O4/c1-29-22(28)17-9-5-10-18(17)24-21(27)19-11-6-12-25(19)20(26)14-16(23)13-15-7-3-2-4-8-15/h2-4,7-8,16-19H,5-6,9-14,23H2,1H3,(H,24,27)/t16-,17?,18?,19+/m1/s1