4-azanyl-2-(2-methylsulfanylethyl)-2-[[3-methyl-2-(3-sulfanylpropylamino)pentanoyl]amino]-3-oxidanylidene-5-phenyl-pentanoic acid

Systemtic Name: 4-azanyl-2-(2-methylsulfanylethyl)-2-[[3-methyl-2-(3-sulfanylpropylamino)pentanoyl]amino]-3-oxidanylidene-5-phenyl-pentanoic acid Openeye Name: 4-amino-2-(2-methylsulfanylethyl)-2-[[3-methyl-2-(3-sulfanylpropylamino)pentanoyl]amino]-3-oxo-5-phenyl-pentanoic acid CAS Name: 4-amino-2-[[2-(3-mercaptopropylamino)-3-methyl-1-oxopentyl]amino]-2-[2-(methylthio)ethyl]-3-oxo-5-phenylpentanoic acid IUPAC Name: 4-amino-2-(2-methylsulfanylethyl)-2-[[3-methyl-2-(3-sulfanylpropylamino)pentanoyl]amino]-3-oxo-5-phenylpentanoic acid Traditional Name: 4-amino-3-keto-2-[[2-(3-mercaptopropylamino)-3-methyl-pentanoyl]amino]-2-[2-(methylthio)ethyl]-5-phenyl-valeric acid Formula: C23H37N3O4S2 MolecularWeight: 483.68758

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCSC)(C(=O)C(CC1=CC=CC=C1)N)C(=O)O)NCCCS

Isomeric SMILES

CCC(C)C(C(=O)NC(CCSC)(C(=O)C(CC1=CC=CC=C1)N)C(=O)O)NCCCS

InChI

InChI=1S/C23H37N3O4S2/c1-4-16(2)19(25-12-8-13-31)21(28)26-23(22(29)30,11-14-32-3)20(27)18(24)15-17-9-6-5-7-10-17/h5-7,9-10,16,18-19,25,31H,4,8,11-15,24H2,1-3H3,(H,26,28)(H,29,30)