methyl 6-[[(2S)-1-[(3R)-3-azanyl-4-phenyl-butanoyl]pyrrolidin-2-yl]carbonylamino]hexanoate

Systemtic Name: methyl 6-[[(2S)-1-[(3R)-3-azanyl-4-phenyl-butanoyl]pyrrolidin-2-yl]carbonylamino]hexanoate Openeye Name: methyl 6-[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]pyrrolidine-2-carbonyl]amino]hexanoate CAS Name: 6-[[[(2S)-1-[(3R)-3-amino-1-oxo-4-phenylbutyl]-2-pyrrolidinyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2S)-1-[(3R)-3-amino-4-phenylbutanoyl]pyrrolidine-2-carbonyl]amino]hexanoate Traditional Name: 6-[[(2S)-1-[(3R)-3-amino-4-phenyl-butanoyl]prolyl]amino]hexanoic acid methyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C1CCCN1C(=O)CC(CC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)CCCCCNC(=O)[C@@H]1CCCN1C(=O)C[C@@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C22H33N3O4/c1-29-21(27)12-6-3-7-13-24-22(28)19-11-8-14-25(19)20(26)16-18(23)15-17-9-4-2-5-10-17/h2,4-5,9-10,18-19H,3,6-8,11-16,23H2,1H3,(H,24,28)/t18-,19+/m1/s1