[(2S)-1-[[(1S)-1-cyano-3-phenyl-propyl]-methyl-amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl] N-(phenylmethyl)carbamate

Systemtic Name: [(2S)-1-[[(1S)-1-cyano-3-phenyl-propyl]-methyl-amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl] N-(phenylmethyl)carbamate Openeye Name: [(1S)-2-[[(1S)-1-cyano-3-phenyl-propyl]-methyl-amino]-1-(cyclopropylmethyl)-2-oxo-ethyl] N-benzylcarbamate CAS Name: N-(phenylmethyl)carbamic acid [(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]-methylamino]-3-cyclopropyl-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[[(1S)-1-cyano-3-phenylpropyl]-methylamino]-3-cyclopropyl-1-oxopropan-2-yl] N-benzylcarbamate Traditional Name: N-benzylcarbamic acid [(1S)-2-[[(1S)-1-cyano-3-phenyl-propyl]-methyl-amino]-1-(cyclopropylmethyl)-2-keto-ethyl] ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCC1=CC=CC=C1)C#N)C(=O)C(CC2CC2)OC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CN([C@@H](CCC1=CC=CC=C1)C#N)C(=O)[C@H](CC2CC2)OC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C25H29N3O3/c1-28(22(17-26)15-14-19-8-4-2-5-9-19)24(29)23(16-20-12-13-20)31-25(30)27-18-21-10-6-3-7-11-21/h2-11,20,22-23H,12-16,18H2,1H3,(H,27,30)/t22-,23-/m0/s1