2-[carboxymethyl-[2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxidanylidene-ethyl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxo-ethyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoethyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-keto-ethyl]amino]acetic acid Formula: C13H16N4O5 MolecularWeight: 308.28994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C#N)NC(=O)CN(CC(=O)O)CC(=O)O)C

Isomeric SMILES

CC1=C(NC(=C1C#N)NC(=O)CN(CC(=O)O)CC(=O)O)C

InChI

InChI=1S/C13H16N4O5/c1-7-8(2)15-13(9(7)3-14)16-10(18)4-17(5-11(19)20)6-12(21)22/h15H,4-6H2,1-2H3,(H,16,18)(H,19,20)(H,21,22)