2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-(2-oxidanylethanoyl)amino]-4-methylsulfanyl-N-naphthalen-2-yl-butanamide

Systemtic Name: 2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-(2-oxidanylethanoyl)amino]-4-methylsulfanyl-N-naphthalen-2-yl-butanamide Openeye Name: 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-hydroxyacetyl)amino]-4-methylsulfanyl-N-(2-naphthyl)butanamide CAS Name: 2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-(2-hydroxy-1-oxoethyl)amino]-4-(methylthio)-N-(2-naphthalenyl)butanamide IUPAC Name: 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]-(2-hydroxyacetyl)amino]-4-methylsulfanyl-N-naphthalen-2-ylbutanamide Traditional Name: 2-[glycoloyl(tyrosyl)amino]-4-(methylthio)-N-(2-naphthyl)butyramide Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O5S/c1-35-13-12-23(25(33)28-20-9-8-18-4-2-3-5-19(18)15-20)29(24(32)16-30)26(34)22(27)14-17-6-10-21(31)11-7-17/h2-11,15,22-23,30-31H,12-14,16,27H2,1H3,(H,28,33)