3-(azulen-1-ylmethyl)-4-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-(azulen-1-ylmethyl)-4-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-(azulen-1-ylmethyl)-4-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-(1-azulenylmethyl)-4-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-(azulen-1-ylmethyl)-4-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-(azulen-1-ylmethyl)-4-[[1-benzyl-2-keto-2-(methylamino)ethyl]amino]-4-keto-butyric acid Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=C3C=CC=CC=C3C=C2)CC(=O)O

Isomeric SMILES

CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=C3C=CC=CC=C3C=C2)CC(=O)O

InChI

InChI=1S/C25H26N2O4/c1-26-25(31)22(14-17-8-4-2-5-9-17)27-24(30)20(16-23(28)29)15-19-13-12-18-10-6-3-7-11-21(18)19/h2-13,20,22H,14-16H2,1H3,(H,26,31)(H,27,30)(H,28,29)