(phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(1S)-1-cyano-2-phenyl-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(1S)-1-cyano-2-phenyl-ethyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[[(1S)-1-[[(1S)-1-cyano-2-phenyl-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-1-[[(1S)-1-cyano-2-phenylethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[[(2S)-1-[[(1S)-1-cyano-2-phenylethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S)-1-[[(1S)-1-cyano-2-phenyl-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C29H38N4O4 MolecularWeight: 506.63642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C#N)NC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C#N)NC(=O)[C@H](CC(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C29H38N4O4/c1-20(2)15-25(27(34)31-24(18-30)17-22-11-7-5-8-12-22)32-28(35)26(16-21(3)4)33-29(36)37-19-23-13-9-6-10-14-23/h5-14,20-21,24-26H,15-17,19H2,1-4H3,(H,31,34)(H,32,35)(H,33,36)/t24-,25-,26-/m0/s1