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

Systemtic Name: methyl 4-[[(2S)-1-[(3R)-3-azanyl-4-phenyl-butanoyl]pyrrolidin-2-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]pyrrolidine-2-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[(2S)-1-[(3R)-3-amino-1-oxo-4-phenylbutyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[(2S)-1-[(3R)-3-amino-4-phenylbutanoyl]pyrrolidine-2-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]prolyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C23H33N3O4 MolecularWeight: 415.52582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)C2CCCN2C(=O)CC(CC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)[C@@H]2CCCN2C(=O)C[C@@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C23H33N3O4/c1-30-23(29)17-9-11-19(12-10-17)25-22(28)20-8-5-13-26(20)21(27)15-18(24)14-16-6-3-2-4-7-16/h2-4,6-7,17-20H,5,8-15,24H2,1H3,(H,25,28)/t17?,18-,19?,20+/m1/s1