3-(2,1,3-benzoxadiazol-5-ylcarbamoylamino)-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-(2,1,3-benzoxadiazol-5-ylcarbamoylamino)-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-(2,1,3-benzoxadiazol-5-ylcarbamoylamino)-4-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-4-oxo-butanoic acid CAS Name: 3-[[(2,1,3-benzoxadiazol-5-ylamino)-oxomethyl]amino]-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-(2,1,3-benzoxadiazol-5-ylcarbamoylamino)-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-(benzofurazan-5-ylcarbamoylamino)-4-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]-4-keto-butyric acid Formula: C21H21N5O7 MolecularWeight: 455.42074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)NC2=CC3=NON=C3C=C2

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)NC2=CC3=NON=C3C=C2

InChI

InChI=1S/C21H21N5O7/c1-32-20(30)17(9-12-5-3-2-4-6-12)23-19(29)16(11-18(27)28)24-21(31)22-13-7-8-14-15(10-13)26-33-25-14/h2-8,10,16-17H,9,11H2,1H3,(H,23,29)(H,27,28)(H2,22,24,31)