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

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-methylsulfanyl-N-naphthalen-2-yl-butanamide; methanoic acid Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)amino]-4-methylsulfanyl-N-(2-naphthyl)butanamide; formic acid CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-(methylthio)-N-(2-naphthalenyl)butanamide; formic acid IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)amino]-4-methylsulfanyl-N-naphthalen-2-ylbutanamide; formic acid Traditional Name: formic acid; 4-(methylthio)-N-(2-naphthyl)-2-(phenylalanylamino)butyramide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)C(CC3=CC=CC=C3)N.C(=O)O

Isomeric SMILES

CSCCC(C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)C(CC3=CC=CC=C3)N.C(=O)O

InChI

InChI=1S/C24H27N3O2S.CH2O2/c1-30-14-13-22(27-23(28)21(25)15-17-7-3-2-4-8-17)24(29)26-20-12-11-18-9-5-6-10-19(18)16-20;2-1-3/h2-12,16,21-22H,13-15,25H2,1H3,(H,26,29)(H,27,28);1H,(H,2,3)