methyl (1S)-2,2-dideuterio-1-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]cyclopropane-1-carboxylate

Systemtic Name: methyl (1S)-2,2-dideuterio-1-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]cyclopropane-1-carboxylate Openeye Name: methyl (1S)-1-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2,2-dideuterio-cyclopropanecarboxylate CAS Name: (1S)-2,2-dideuterio-1-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-1-cyclopropanecarboxylic acid methyl ester IUPAC Name: methyl (1S)-2,2-dideuterio-1-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]cyclopropane-1-carboxylate Traditional Name: (1S)-1-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-2,2-dideuterio-cyclopropanecarboxylic acid methyl ester Formula: C22H24N2O5 MolecularWeight: 398.448684

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

[2H]C1(C[C@]1(C(=O)OC)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)[2H]

InChI

InChI=1S/C22H24N2O5/c1-28-20(26)22(12-13-22)24-19(25)18(14-16-8-4-2-5-9-16)23-21(27)29-15-17-10-6-3-7-11-17/h2-11,18H,12-15H2,1H3,(H,23,27)(H,24,25)/t18-/m0/s1/i12D2/t18-,22+