4-azanyl-2-[[2-azanyl-5-[(4-methylphenyl)sulfonylamino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[2-azanyl-5-[(4-methylphenyl)sulfonylamino]-5-oxidanylidene-pentanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-amino-5-oxo-5-(p-tolylsulfonylamino)pentanoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-amino-5-[(4-methylphenyl)sulfonylamino]-1,5-dioxopentyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-amino-5-[(4-methylphenyl)sulfonylamino]-5-oxopentanoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-amino-5-keto-5-(tosylamino)pentanoyl]amino]-4-keto-butyric acid Formula: C16H22N4O7S MolecularWeight: 414.43348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CCC(C(=O)NC(CC(=O)N)C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CCC(C(=O)NC(CC(=O)N)C(=O)O)N

InChI

InChI=1S/C16H22N4O7S/c1-9-2-4-10(5-3-9)28(26,27)20-14(22)7-6-11(17)15(23)19-12(16(24)25)8-13(18)21/h2-5,11-12H,6-8,17H2,1H3,(H2,18,21)(H,19,23)(H,20,22)(H,24,25)