(2S)-3-(2-azanylethanoylamino)-N-(4-methylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide

Systemtic Name: (2S)-3-(2-azanylethanoylamino)-N-(4-methylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide Openeye Name: (2S)-3-[(2-aminoacetyl)amino]-2-[(4-benzyloxyphenyl)carbamoylamino]-N-(p-tolyl)propanamide CAS Name: (2S)-3-[(2-amino-1-oxoethyl)amino]-N-(4-methylphenyl)-2-[[oxo-(4-phenylmethoxyanilino)methyl]amino]propanamide IUPAC Name: (2S)-3-[(2-aminoacetyl)amino]-N-(4-methylphenyl)-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide Traditional Name: (2S)-2-[(4-benzoxyphenyl)carbamoylamino]-3-(glycylamino)-N-(p-tolyl)propionamide Formula: C26H29N5O4 MolecularWeight: 475.53956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(CNC(=O)CN)NC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](CNC(=O)CN)NC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H29N5O4/c1-18-7-9-20(10-8-18)29-25(33)23(16-28-24(32)15-27)31-26(34)30-21-11-13-22(14-12-21)35-17-19-5-3-2-4-6-19/h2-14,23H,15-17,27H2,1H3,(H,28,32)(H,29,33)(H2,30,31,34)/t23-/m0/s1