6-azulen-1-yl-3-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]hexanoic acid

Systemtic Name: 6-azulen-1-yl-3-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]hexanoic acid Openeye Name: 6-azulen-1-yl-3-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]hexanoic acid CAS Name: 6-(1-azulenyl)-3-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]hexanoic acid IUPAC Name: 6-azulen-1-yl-3-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]hexanoic acid Traditional Name: 6-azulen-1-yl-3-[[1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]hexanoic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCC2=C3C=CC=CC=C3C=C2)CC(=O)O

Isomeric SMILES

CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCC2=C3C=CC=CC=C3C=C2)CC(=O)O

InChI

InChI=1S/C27H30N2O4/c1-28-27(33)24(17-19-9-4-2-5-10-19)29-26(32)22(18-25(30)31)13-8-12-21-16-15-20-11-6-3-7-14-23(20)21/h2-7,9-11,14-16,22,24H,8,12-13,17-18H2,1H3,(H,28,33)(H,29,32)(H,30,31)