2-azanyl-5-[[1-(carboxymethylamino)-3-(4-methyl-3-oxidanylidene-1-phenyl-pentyl)sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-3-(4-methyl-3-oxidanylidene-1-phenyl-pentyl)sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-1-[(4-methyl-3-oxo-1-phenyl-pentyl)sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-[(4-methyl-3-oxo-1-phenylpentyl)thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-(4-methyl-3-oxo-1-phenylpentyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-2-keto-1-[[(3-keto-4-methyl-1-phenyl-pentyl)thio]methyl]ethyl]amino]-5-keto-valeric acid Formula: C22H31N3O7S MolecularWeight: 481.56244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CC(C1=CC=CC=C1)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

CC(C)C(=O)CC(C1=CC=CC=C1)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C22H31N3O7S/c1-13(2)17(26)10-18(14-6-4-3-5-7-14)33-12-16(21(30)24-11-20(28)29)25-19(27)9-8-15(23)22(31)32/h3-7,13,15-16,18H,8-12,23H2,1-2H3,(H,24,30)(H,25,27)(H,28,29)(H,31,32)