4-methylsulfanyl-2-[2-[[3-methyl-2-(3-sulfanylpropylamino)pentanoyl]-phenyl-amino]propanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-[[3-methyl-2-(3-sulfanylpropylamino)pentanoyl]-phenyl-amino]propanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[2-(N-[3-methyl-2-(3-sulfanylpropylamino)pentanoyl]anilino)propanoylamino]butanoic acid CAS Name: 2-[[2-(N-[2-(3-mercaptopropylamino)-3-methyl-1-oxopentyl]anilino)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 4-methylsulfanyl-2-[2-(N-[3-methyl-2-(3-sulfanylpropylamino)pentanoyl]anilino)propanoylamino]butanoic acid Traditional Name: 2-[2-(N-[2-(3-mercaptopropylamino)-3-methyl-pentanoyl]anilino)propanoylamino]-4-(methylthio)butyric acid Formula: C23H37N3O4S2 MolecularWeight: 483.68758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N(C1=CC=CC=C1)C(C)C(=O)NC(CCSC)C(=O)O)NCCCS

Isomeric SMILES

CCC(C)C(C(=O)N(C1=CC=CC=C1)C(C)C(=O)NC(CCSC)C(=O)O)NCCCS

InChI

InChI=1S/C23H37N3O4S2/c1-5-16(2)20(24-13-9-14-31)22(28)26(18-10-7-6-8-11-18)17(3)21(27)25-19(23(29)30)12-15-32-4/h6-8,10-11,16-17,19-20,24,31H,5,9,12-15H2,1-4H3,(H,25,27)(H,29,30)