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

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbamoylamino)-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-(1,3-benzodioxol-5-ylcarbamoylamino)-4-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-4-oxo-butanoic acid CAS Name: 3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-ylcarbamoylamino)-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-(1,3-benzodioxol-5-ylcarbamoylamino)-4-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]-4-keto-butyric acid Formula: C22H23N3O8 MolecularWeight: 457.43332

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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=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)NC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H23N3O8/c1-31-21(29)16(9-13-5-3-2-4-6-13)24-20(28)15(11-19(26)27)25-22(30)23-14-7-8-17-18(10-14)33-12-32-17/h2-8,10,15-16H,9,11-12H2,1H3,(H,24,28)(H,26,27)(H2,23,25,30)