2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-N-methyl-4-methylsulfanyl-N-(3-phenylpropyl)butanamide hydrochloride

Systemtic Name: 2-[[2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-N-methyl-4-methylsulfanyl-N-(3-phenylpropyl)butanamide hydrochloride Openeye Name: 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-methyl-4-methylsulfanyl-N-(3-phenylpropyl)butanamide hydrochloride CAS Name: 2-[[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-N-methyl-4-(methylthio)-N-(3-phenylpropyl)butanamide hydrochloride IUPAC Name: 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-methyl-4-methylsulfanyl-N-(3-phenylpropyl)butanamide hydrochloride Traditional Name: N-methyl-4-(methylthio)-N-(3-phenylpropyl)-2-(tyrosylamino)butyramide hydrochloride Formula: C24H34ClN3O3S MolecularWeight: 480.06306

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC=CC=C1)C(=O)C(CCSC)NC(=O)C(CC2=CC=C(C=C2)O)N.Cl

Isomeric SMILES

CN(CCCC1=CC=CC=C1)C(=O)C(CCSC)NC(=O)C(CC2=CC=C(C=C2)O)N.Cl

InChI

InChI=1S/C24H33N3O3S.ClH/c1-27(15-6-9-18-7-4-3-5-8-18)24(30)22(14-16-31-2)26-23(29)21(25)17-19-10-12-20(28)13-11-19;/h3-5,7-8,10-13,21-22,28H,6,9,14-17,25H2,1-2H3,(H,26,29);1H