N-(3-methylphenyl)-2-[[(2S)-3-methyl-2-(2-phenylethanoylamino)butanoyl]amino]benzamide

Systemtic Name: N-(3-methylphenyl)-2-[[(2S)-3-methyl-2-(2-phenylethanoylamino)butanoyl]amino]benzamide Openeye Name: 2-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]-N-(m-tolyl)benzamide CAS Name: 2-[[(2S)-3-methyl-1-oxo-2-[(1-oxo-2-phenylethyl)amino]butyl]amino]-N-(3-methylphenyl)benzamide IUPAC Name: N-(3-methylphenyl)-2-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]benzamide Traditional Name: 2-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]-N-(m-tolyl)benzamide Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)C(C(C)C)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)[C@H](C(C)C)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3/c1-18(2)25(30-24(31)17-20-11-5-4-6-12-20)27(33)29-23-15-8-7-14-22(23)26(32)28-21-13-9-10-19(3)16-21/h4-16,18,25H,17H2,1-3H3,(H,28,32)(H,29,33)(H,30,31)/t25-/m0/s1