2-azanyl-4-(butylamino)-2-(2-methylsulfanylethyl)-3-oxidanylidene-5-phenyl-pentanoic acid

Systemtic Name: 2-azanyl-4-(butylamino)-2-(2-methylsulfanylethyl)-3-oxidanylidene-5-phenyl-pentanoic acid Openeye Name: 2-amino-4-(butylamino)-2-(2-methylsulfanylethyl)-3-oxo-5-phenyl-pentanoic acid CAS Name: 2-amino-4-(butylamino)-2-[2-(methylthio)ethyl]-3-oxo-5-phenylpentanoic acid IUPAC Name: 2-amino-4-(butylamino)-2-(2-methylsulfanylethyl)-3-oxo-5-phenylpentanoic acid Traditional Name: 2-amino-4-(butylamino)-3-keto-2-[2-(methylthio)ethyl]-5-phenyl-valeric acid Formula: C18H28N2O3S MolecularWeight: 352.49152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(CC1=CC=CC=C1)C(=O)C(CCSC)(C(=O)O)N

Isomeric SMILES

CCCCNC(CC1=CC=CC=C1)C(=O)C(CCSC)(C(=O)O)N

InChI

InChI=1S/C18H28N2O3S/c1-3-4-11-20-15(13-14-8-6-5-7-9-14)16(21)18(19,17(22)23)10-12-24-2/h5-9,15,20H,3-4,10-13,19H2,1-2H3,(H,22,23)