(E)-2-(2-azanylpropanoyl)-2-[(4-methylpentanoylamino)-naphthalen-1-yl-amino]-N-oxidanyl-5-phenyl-pent-4-enamide; 4-methylbenzenesulfonic acid

Systemtic Name: (E)-2-(2-azanylpropanoyl)-2-[(4-methylpentanoylamino)-naphthalen-1-yl-amino]-N-oxidanyl-5-phenyl-pent-4-enamide; 4-methylbenzenesulfonic acid Openeye Name: (E)-2-(2-aminopropanoyl)-2-[(4-methylpentanoylamino)-(1-naphthyl)amino]-5-phenyl-pent-4-enehydroxamic acid; 4-methylbenzenesulfonic acid CAS Name: (E)-2-(2-amino-1-oxopropyl)-N-hydroxy-2-[[(4-methyl-1-oxopentyl)amino]-(1-naphthalenyl)amino]-5-phenyl-4-pentenamide; 4-methylbenzenesulfonic acid IUPAC Name: (E)-2-(2-aminopropanoyl)-N-hydroxy-2-[(4-methylpentanoylamino)-naphthalen-1-ylamino]-5-phenylpent-4-enamide; 4-methylbenzenesulfonic acid Traditional Name: (E)-2-alanyl-2-[(4-methylpentanoylamino)-(1-naphthyl)amino]-5-phenyl-pent-4-enehydroxamic acid; tosylic acid Formula: C37H44N4O7S MolecularWeight: 688.83286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CCC(=O)NN(C1=CC=CC2=CC=CC=C21)C(CC=CC3=CC=CC=C3)(C(=O)C(C)N)C(=O)NO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CCC(=O)NN(C1=CC=CC2=CC=CC=C21)C(C/C=C/C3=CC=CC=C3)(C(=O)C(C)N)C(=O)NO

InChI

InChI=1S/C30H36N4O4.C7H8O3S/c1-21(2)18-19-27(35)32-34(26-17-9-15-24-14-7-8-16-25(24)26)30(29(37)33-38,28(36)22(3)31)20-10-13-23-11-5-4-6-12-23;1-6-2-4-7(5-3-6)11(8,9)10/h4-17,21-22,38H,18-20,31H2,1-3H3,(H,32,35)(H,33,37);2-5H,1H3,(H,8,9,10)/b13-10+;