(2S)-7-azanyl-N-(4-cyclohexylphenyl)-2-[(phenylmethyl)carbamoylamino]heptanamide

Systemtic Name: (2S)-7-azanyl-N-(4-cyclohexylphenyl)-2-[(phenylmethyl)carbamoylamino]heptanamide Openeye Name: (2S)-7-amino-2-(benzylcarbamoylamino)-N-(4-cyclohexylphenyl)heptanamide CAS Name: (2S)-7-amino-N-(4-cyclohexylphenyl)-2-[[oxo-[(phenylmethyl)amino]methyl]amino]heptanamide IUPAC Name: (2S)-7-amino-2-(benzylcarbamoylamino)-N-(4-cyclohexylphenyl)heptanamide Traditional Name: (2S)-7-amino-2-(benzylcarbamoylamino)-N-(4-cyclohexylphenyl)enanthamide Formula: C27H38N4O2 MolecularWeight: 450.61622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)NC(=O)C(CCCCCN)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)NC(=O)[C@H](CCCCCN)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C27H38N4O2/c28-19-9-3-8-14-25(31-27(33)29-20-21-10-4-1-5-11-21)26(32)30-24-17-15-23(16-18-24)22-12-6-2-7-13-22/h1,4-5,10-11,15-18,22,25H,2-3,6-9,12-14,19-20,28H2,(H,30,32)(H2,29,31,33)/t25-/m0/s1