(phenylmethyl) N-[(2S)-5-(butylcarbamoyl)-6-methyl-3-oxidanylidene-1-phenyl-heptan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-5-(butylcarbamoyl)-6-methyl-3-oxidanylidene-1-phenyl-heptan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-benzyl-4-(butylcarbamoyl)-5-methyl-2-oxo-hexyl]carbamate CAS Name: N-[(2S)-5-[butylamino(oxo)methyl]-6-methyl-3-oxo-1-phenylheptan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-5-(butylcarbamoyl)-6-methyl-3-oxo-1-phenylheptan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-4-(butylcarbamoyl)-2-keto-5-methyl-hexyl]carbamic acid benzyl ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O4/c1-4-5-16-28-26(31)23(20(2)3)18-25(30)24(17-21-12-8-6-9-13-21)29-27(32)33-19-22-14-10-7-11-15-22/h6-15,20,23-24H,4-5,16-19H2,1-3H3,(H,28,31)(H,29,32)/t23?,24-/m0/s1