(2S)-N-(4-azanylbutyl)-3-(4-phenylmethoxyphenyl)-2-[(phenylmethyl)carbamoylamino]propanamide

Systemtic Name: (2S)-N-(4-azanylbutyl)-3-(4-phenylmethoxyphenyl)-2-[(phenylmethyl)carbamoylamino]propanamide Openeye Name: (2S)-N-(4-aminobutyl)-2-(benzylcarbamoylamino)-3-(4-benzyloxyphenyl)propanamide CAS Name: (2S)-N-(4-aminobutyl)-2-[[oxo-[(phenylmethyl)amino]methyl]amino]-3-(4-phenylmethoxyphenyl)propanamide IUPAC Name: (2S)-N-(4-aminobutyl)-2-(benzylcarbamoylamino)-3-(4-phenylmethoxyphenyl)propanamide Traditional Name: (2S)-N-(4-aminobutyl)-3-(4-benzoxyphenyl)-2-(benzylcarbamoylamino)propionamide Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)NCCCCN

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)N[C@@H](CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)NCCCCN

InChI

InChI=1S/C28H34N4O3/c29-17-7-8-18-30-27(33)26(32-28(34)31-20-23-9-3-1-4-10-23)19-22-13-15-25(16-14-22)35-21-24-11-5-2-6-12-24/h1-6,9-16,26H,7-8,17-21,29H2,(H,30,33)(H2,31,32,34)/t26-/m0/s1