(phenylmethyl) N-[(5S)-7-chloranyl-6-oxidanylidene-5-(3-phenylpropanoylamino)heptyl]carbamate

Systemtic Name: (phenylmethyl) N-[(5S)-7-chloranyl-6-oxidanylidene-5-(3-phenylpropanoylamino)heptyl]carbamate Openeye Name: benzyl N-[(5S)-7-chloro-6-oxo-5-(3-phenylpropanoylamino)heptyl]carbamate CAS Name: N-[(5S)-7-chloro-6-oxo-5-[(1-oxo-3-phenylpropyl)amino]heptyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(5S)-7-chloro-6-oxo-5-(3-phenylpropanoylamino)heptyl]carbamate Traditional Name: N-[(5S)-7-chloro-5-(hydrocinnamoylamino)-6-keto-heptyl]carbamic acid benzyl ester Formula: C24H29ClN2O4 MolecularWeight: 444.95106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)CCl

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N[C@@H](CCCCNC(=O)OCC2=CC=CC=C2)C(=O)CCl

InChI

InChI=1S/C24H29ClN2O4/c25-17-22(28)21(27-23(29)15-14-19-9-3-1-4-10-19)13-7-8-16-26-24(30)31-18-20-11-5-2-6-12-20/h1-6,9-12,21H,7-8,13-18H2,(H,26,30)(H,27,29)/t21-/m0/s1