2-azanyl-5-[[1-(2-carboxyethylamino)-3-[(4-methylphenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[1-(2-carboxyethylamino)-3-[(4-methylphenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(2-carboxyethylamino)-2-oxo-1-(p-tolylmethylsulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(2-carboxyethylamino)-3-[(4-methylphenyl)methylthio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(2-carboxyethylamino)-3-[(4-methylphenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(2-carboxyethylamino)-2-keto-1-[[(4-methylbenzyl)thio]methyl]ethyl]amino]-5-keto-valeric acid Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(C(=O)NCCC(=O)O)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(C(=O)NCCC(=O)O)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C19H27N3O6S/c1-12-2-4-13(5-3-12)10-29-11-15(18(26)21-9-8-17(24)25)22-16(23)7-6-14(20)19(27)28/h2-5,14-15H,6-11,20H2,1H3,(H,21,26)(H,22,23)(H,24,25)(H,27,28)