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

Systemtic Name: ethyl 2-[[(2S)-1-[(3R)-3-azanyl-4-phenyl-butanoyl]pyrrolidin-2-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: ethyl 2-[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]pyrrolidine-2-carbonyl]amino]cyclohexanecarboxylate CAS Name: 2-[[[(2S)-1-[(3R)-3-amino-1-oxo-4-phenylbutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-1-[(3R)-3-amino-4-phenylbutanoyl]pyrrolidine-2-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 2-[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]prolyl]amino]cyclohexanecarboxylic acid ethyl ester Formula: C24H35N3O4 MolecularWeight: 429.5524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCC1NC(=O)C2CCCN2C(=O)CC(CC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1CCCCC1NC(=O)[C@@H]2CCCN2C(=O)C[C@@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C24H35N3O4/c1-2-31-24(30)19-11-6-7-12-20(19)26-23(29)21-13-8-14-27(21)22(28)16-18(25)15-17-9-4-3-5-10-17/h3-5,9-10,18-21H,2,6-8,11-16,25H2,1H3,(H,26,29)/t18-,19?,20?,21+/m1/s1