5-[(2-azanyl-4,5-dimethyl-phenyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(2-azanyl-4,5-dimethyl-phenyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-amino-4,5-dimethyl-anilino)-2-(tert-butoxycarbonylamino)-5-oxo-pentanoic acid CAS Name: 5-(2-amino-4,5-dimethylanilino)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-(2-amino-4,5-dimethylanilino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid Traditional Name: 5-(2-amino-4,5-dimethyl-anilino)-2-(tert-butoxycarbonylamino)-5-keto-valeric acid Formula: C18H27N3O5 MolecularWeight: 365.42408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=O)CCC(C(=O)O)NC(=O)OC(C)(C)C)N

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=O)CCC(C(=O)O)NC(=O)OC(C)(C)C)N

InChI

InChI=1S/C18H27N3O5/c1-10-8-12(19)14(9-11(10)2)20-15(22)7-6-13(16(23)24)21-17(25)26-18(3,4)5/h8-9,13H,6-7,19H2,1-5H3,(H,20,22)(H,21,25)(H,23,24)