disodium (Z)-2-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-3-propan-2-yl-but-2-enedioate

Systemtic Name: disodium (Z)-2-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-3-propan-2-yl-but-2-enedioate Openeye Name: disodium (Z)-2-[[4-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]methyl]-3-isopropyl-but-2-enedioate CAS Name: disodium (Z)-2-[[4-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl]methyl]-3-propan-2-yl-2-butenedioate IUPAC Name: disodium (Z)-2-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-propan-2-ylbut-2-enedioate Traditional Name: disodium (Z)-2-[4-[(2-amino-2-keto-ethyl)carbamoyl]benzyl]-3-isopropyl-but-2-enedioate Formula: C17H18N2Na2O6 MolecularWeight: 392.31416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=C(CC1=CC=C(C=C1)C(=O)NCC(=O)N)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)/C(=C(\CC1=CC=C(C=C1)C(=O)NCC(=O)N)/C(=O)[O-])/C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C17H20N2O6.2Na/c1-9(2)14(17(24)25)12(16(22)23)7-10-3-5-11(6-4-10)15(21)19-8-13(18)20;;/h3-6,9H,7-8H2,1-2H3,(H2,18,20)(H,19,21)(H,22,23)(H,24,25);;/q;2*+1/p-2/b14-12-;;