sodium; cobalt; (2R)-2-[[(Z)-[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methyl]amino]-2-oxidanyl-3-phenyl-propanoic acid

Systemtic Name: sodium; cobalt; (2R)-2-[[(Z)-[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methyl]amino]-2-oxidanyl-3-phenyl-propanoic acid Openeye Name: sodium; cobalt; (2R)-2-hydroxy-2-[[(Z)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methyl]amino]-3-phenyl-propanoic acid CAS Name: sodium; cobalt; (2R)-2-hydroxy-2-[[(Z)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methyl]amino]-3-phenylpropanoic acid IUPAC Name: sodium; cobalt; (2R)-2-hydroxy-2-[[(Z)-[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methyl]amino]-3-phenylpropanoic acid Traditional Name: sodium; cobalt; (2R)-2-hydroxy-2-[[(Z)-(3-keto-2-methyl-5-methylol-4-pyridylidene)methyl]amino]-3-phenyl-propionic acid Formula: C34H36CoN4NaO10+ MolecularWeight: 742.59341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC(CC2=CC=CC=C2)(C(=O)O)O)C1=O)CO.CC1=NC=C(C(=CNC(CC2=CC=CC=C2)(C(=O)O)O)C1=O)CO.[Na+].[Co]

Isomeric SMILES

CC1=NC=C(/C(=C/N[C@](O)(C(=O)O)CC2=CC=CC=C2)/C1=O)CO.CC1=NC=C(/C(=C/N[C@](O)(C(=O)O)CC2=CC=CC=C2)/C1=O)CO.[Na+].[Co]

InChI

InChI=1S/2C17H18N2O5.Co.Na/c2*1-11-15(21)14(13(10-20)8-18-11)9-19-17(24,16(22)23)7-12-5-3-2-4-6-12;;/h2*2-6,8-9,19-20,24H,7,10H2,1H3,(H,22,23);;/q;;;+1/b2*14-9-;;/t2*17-;;/m11../s1