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

Systemtic Name: (2S)-7-azanyl-N-(4-cyclohexylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]heptanamide Openeye Name: (2S)-7-amino-2-[(4-benzyloxyphenyl)carbamoylamino]-N-(4-cyclohexylphenyl)heptanamide CAS Name: (2S)-7-amino-N-(4-cyclohexylphenyl)-2-[[oxo-(4-phenylmethoxyanilino)methyl]amino]heptanamide IUPAC Name: (2S)-7-amino-N-(4-cyclohexylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]heptanamide Traditional Name: (2S)-7-amino-2-[(4-benzoxyphenyl)carbamoylamino]-N-(4-cyclohexylphenyl)enanthamide Formula: C33H42N4O3 MolecularWeight: 542.71158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)NC(=O)C(CCCCCN)NC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)NC(=O)[C@H](CCCCCN)NC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C33H42N4O3/c34-23-9-3-8-14-31(32(38)35-28-17-15-27(16-18-28)26-12-6-2-7-13-26)37-33(39)36-29-19-21-30(22-20-29)40-24-25-10-4-1-5-11-25/h1,4-5,10-11,15-22,26,31H,2-3,6-9,12-14,23-24,34H2,(H,35,38)(H2,36,37,39)/t31-/m0/s1