(2R)-6-azanyl-2-[2-[carboxymethyl-(4-methoxy-3-oxidanyl-phenyl)carbonyl-amino]ethanoylamino]hexanoic acid

Systemtic Name: (2R)-6-azanyl-2-[2-[carboxymethyl-(4-methoxy-3-oxidanyl-phenyl)carbonyl-amino]ethanoylamino]hexanoic acid Openeye Name: (2R)-6-amino-2-[[2-[carboxymethyl-(3-hydroxy-4-methoxy-benzoyl)amino]acetyl]amino]hexanoic acid CAS Name: (2R)-6-amino-2-[[2-[carboxymethyl-[(3-hydroxy-4-methoxyphenyl)-oxomethyl]amino]-1-oxoethyl]amino]hexanoic acid IUPAC Name: (2R)-6-amino-2-[[2-[carboxymethyl-(3-hydroxy-4-methoxybenzoyl)amino]acetyl]amino]hexanoic acid Traditional Name: (2R)-6-amino-2-[[2-[carboxymethyl(isovanilloyl)amino]acetyl]amino]hexanoic acid Formula: C18H25N3O8 MolecularWeight: 411.4064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N(CC(=O)NC(CCCCN)C(=O)O)CC(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N(CC(=O)N[C@H](CCCCN)C(=O)O)CC(=O)O)O

InChI

InChI=1S/C18H25N3O8/c1-29-14-6-5-11(8-13(14)22)17(26)21(10-16(24)25)9-15(23)20-12(18(27)28)4-2-3-7-19/h5-6,8,12,22H,2-4,7,9-10,19H2,1H3,(H,20,23)(H,24,25)(H,27,28)/t12-/m1/s1