(phenylmethyl) N-(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)-N-[2-azanyl-3-(phenylmethylsulfanyl)propanoyl]carbamate

Systemtic Name: (phenylmethyl) N-(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)-N-[2-azanyl-3-(phenylmethylsulfanyl)propanoyl]carbamate Openeye Name: benzyl N-(2-amino-3-benzylsulfanyl-propanoyl)-N-(1-carbamoyl-3-methyl-butyl)carbamate CAS Name: N-(1-amino-4-methyl-1-oxopentan-2-yl)-N-[2-amino-1-oxo-3-(phenylmethylthio)propyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(2-amino-3-benzylsulfanylpropanoyl)-N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate Traditional Name: N-[2-amino-3-(benzylthio)propanoyl]-N-(1-carbamoyl-3-methyl-butyl)carbamic acid benzyl ester Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)N(C(=O)C(CSCC1=CC=CC=C1)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)N)N(C(=O)C(CSCC1=CC=CC=C1)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C24H31N3O4S/c1-17(2)13-21(22(26)28)27(24(30)31-14-18-9-5-3-6-10-18)23(29)20(25)16-32-15-19-11-7-4-8-12-19/h3-12,17,20-21H,13-16,25H2,1-2H3,(H2,26,28)