(phenylmethyl) N-[(2S,3S)-1-[(1-cyanopyrrolidin-2-yl)methylamino]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S,3S)-1-[(1-cyanopyrrolidin-2-yl)methylamino]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S,2S)-1-[(1-cyanopyrrolidin-2-yl)methylcarbamoyl]-2-methyl-butyl]carbamate CAS Name: N-[(2S,3S)-1-[(1-cyano-2-pyrrolidinyl)methylamino]-3-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3S)-1-[(1-cyanopyrrolidin-2-yl)methylamino]-3-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S,2S)-1-[(1-cyanopyrrolidin-2-yl)methylcarbamoyl]-2-methyl-butyl]carbamic acid benzyl ester Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1CCCN1C#N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCC1CCCN1C#N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H28N4O3/c1-3-15(2)18(19(25)22-12-17-10-7-11-24(17)14-21)23-20(26)27-13-16-8-5-4-6-9-16/h4-6,8-9,15,17-18H,3,7,10-13H2,1-2H3,(H,22,25)(H,23,26)/t15-,17?,18-/m0/s1