5-[3-[(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)-propan-2-yl-amino]-3-oxidanylidene-propyl]-2-(carboxycarbonylamino)benzoic acid

Systemtic Name: 5-[3-[(1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl)-propan-2-yl-amino]-3-oxidanylidene-propyl]-2-(carboxycarbonylamino)benzoic acid Openeye Name: 5-[3-[(1-carbamoyl-3-methyl-butyl)-isopropyl-amino]-3-oxo-propyl]-2-(oxaloamino)benzoic acid CAS Name: 5-[3-[(1-amino-4-methyl-1-oxopentan-2-yl)-propan-2-ylamino]-3-oxopropyl]-2-(oxaloamino)benzoic acid IUPAC Name: 5-[3-[(1-amino-4-methyl-1-oxopentan-2-yl)-propan-2-ylamino]-3-oxopropyl]-2-(oxaloamino)benzoic acid Traditional Name: 5-[3-[(1-carbamoyl-3-methyl-butyl)-isopropyl-amino]-3-keto-propyl]-2-(oxaloamino)benzoic acid Formula: C21H29N3O7 MolecularWeight: 435.47086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)N(C(C)C)C(=O)CCC1=CC(=C(C=C1)NC(=O)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)N)N(C(C)C)C(=O)CCC1=CC(=C(C=C1)NC(=O)C(=O)O)C(=O)O

InChI

InChI=1S/C21H29N3O7/c1-11(2)9-16(18(22)26)24(12(3)4)17(25)8-6-13-5-7-15(14(10-13)20(28)29)23-19(27)21(30)31/h5,7,10-12,16H,6,8-9H2,1-4H3,(H2,22,26)(H,23,27)(H,28,29)(H,30,31)