N-(2-azanyl-3-sulfanyl-propanoyl)-2-(2,2-diphenylethanoylamino)-3-(3-methylphenyl)propanamide

Systemtic Name: N-(2-azanyl-3-sulfanyl-propanoyl)-2-(2,2-diphenylethanoylamino)-3-(3-methylphenyl)propanamide Openeye Name: N-(2-amino-3-sulfanyl-propanoyl)-2-[(2,2-diphenylacetyl)amino]-3-(m-tolyl)propanamide CAS Name: N-(2-amino-3-mercapto-1-oxopropyl)-3-(3-methylphenyl)-2-[(1-oxo-2,2-diphenylethyl)amino]propanamide IUPAC Name: N-(2-amino-3-sulfanylpropanoyl)-2-[(2,2-diphenylacetyl)amino]-3-(3-methylphenyl)propanamide Traditional Name: N-(2-amino-3-mercapto-propanoyl)-2-[(2,2-diphenylacetyl)amino]-3-(m-tolyl)propionamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C(=O)NC(=O)C(CS)N)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CC(C(=O)NC(=O)C(CS)N)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H29N3O3S/c1-18-9-8-10-19(15-18)16-23(26(32)30-25(31)22(28)17-34)29-27(33)24(20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-15,22-24,34H,16-17,28H2,1H3,(H,29,33)(H,30,31,32)