2-[[2-azanyl-3-(4-methoxyphenyl)propanoyl]amino]-4-methylsulfanyl-N-naphthalen-2-yl-butanamide; methanoic acid

Systemtic Name: 2-[[2-azanyl-3-(4-methoxyphenyl)propanoyl]amino]-4-methylsulfanyl-N-naphthalen-2-yl-butanamide; methanoic acid Openeye Name: 2-[[2-amino-3-(4-methoxyphenyl)propanoyl]amino]-4-methylsulfanyl-N-(2-naphthyl)butanamide; formic acid CAS Name: 2-[[2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-4-(methylthio)-N-(2-naphthalenyl)butanamide; formic acid IUPAC Name: 2-[[2-amino-3-(4-methoxyphenyl)propanoyl]amino]-4-methylsulfanyl-N-naphthalen-2-ylbutanamide; formic acid Traditional Name: 2-[[2-amino-3-(4-methoxyphenyl)propanoyl]amino]-4-(methylthio)-N-(2-naphthyl)butyramide; formic acid Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)NC(CCSC)C(=O)NC2=CC3=CC=CC=C3C=C2)N.C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)NC(CCSC)C(=O)NC2=CC3=CC=CC=C3C=C2)N.C(=O)O

InChI

InChI=1S/C25H29N3O3S.CH2O2/c1-31-21-11-7-17(8-12-21)15-22(26)24(29)28-23(13-14-32-2)25(30)27-20-10-9-18-5-3-4-6-19(18)16-20;2-1-3/h3-12,16,22-23H,13-15,26H2,1-2H3,(H,27,30)(H,28,29);1H,(H,2,3)