2-azanyl-3-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxidanylidene-butan-2-yl]pentanamide; methanoic acid

Systemtic Name: 2-azanyl-3-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxidanylidene-butan-2-yl]pentanamide; methanoic acid Openeye Name: 2-amino-3-methyl-N-[3-methylsulfanyl-1-(2-naphthylcarbamoyl)propyl]pentanamide; formic acid CAS Name: 2-amino-3-methyl-N-[4-(methylthio)-1-(2-naphthalenylamino)-1-oxobutan-2-yl]pentanamide; formic acid IUPAC Name: 2-amino-3-methyl-N-[4-methylsulfanyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]pentanamide; formic acid Traditional Name: 2-amino-3-methyl-N-[3-(methylthio)-1-(2-naphthylcarbamoyl)propyl]valeramide; formic acid Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCSC)C(=O)NC1=CC2=CC=CC=C2C=C1)N.C(=O)O

Isomeric SMILES

CCC(C)C(C(=O)NC(CCSC)C(=O)NC1=CC2=CC=CC=C2C=C1)N.C(=O)O

InChI

InChI=1S/C21H29N3O2S.CH2O2/c1-4-14(2)19(22)21(26)24-18(11-12-27-3)20(25)23-17-10-9-15-7-5-6-8-16(15)13-17;2-1-3/h5-10,13-14,18-19H,4,11-12,22H2,1-3H3,(H,23,25)(H,24,26);1H,(H,2,3)