(phenylmethyl) N-[(2S)-1-[(2-azanyl-5-piperidin-1-ylcarbonyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-[(2-azanyl-5-piperidin-1-ylcarbonyl-phenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-[[2-amino-5-(piperidine-1-carbonyl)phenyl]carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[2-amino-5-[oxo(1-piperidinyl)methyl]anilino]-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-[2-amino-5-(piperidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[2-amino-5-(piperidine-1-carbonyl)phenyl]carbamoyl]-2-methyl-propyl]carbamic acid benzyl ester Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCCCC2)N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=C(C=CC(=C1)C(=O)N2CCCCC2)N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H32N4O4/c1-17(2)22(28-25(32)33-16-18-9-5-3-6-10-18)23(30)27-21-15-19(11-12-20(21)26)24(31)29-13-7-4-8-14-29/h3,5-6,9-12,15,17,22H,4,7-8,13-14,16,26H2,1-2H3,(H,27,30)(H,28,32)/t22-/m0/s1