(phenylmethyl) (2S)-2-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[(1S)-2-amino-1-benzyl-2-keto-ethyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C22H25N3O4/c23-20(26)18(14-16-8-3-1-4-9-16)24-21(27)19-12-7-13-25(19)22(28)29-15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2,(H2,23,26)(H,24,27)/t18-,19-/m0/s1