(2S)-2-[[4-[(6-aminocarbonyl-5-azanyl-pyrazin-2-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[(6-aminocarbonyl-5-azanyl-pyrazin-2-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[(5-amino-6-carbamoyl-pyrazin-2-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[(5-amino-6-carbamoyl-2-pyrazinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[(5-amino-6-carbamoylpyrazin-2-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[(5-amino-6-carbamoyl-pyrazin-2-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid Formula: C19H22N6O6 MolecularWeight: 430.41458

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C(C(=N1)C(=O)N)N)C2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CN(CC1=CN=C(C(=N1)C(=O)N)N)C2=CC=C(C=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C19H22N6O6/c1-25(9-11-8-22-16(20)15(23-11)17(21)28)12-4-2-10(3-5-12)18(29)24-13(19(30)31)6-7-14(26)27/h2-5,8,13H,6-7,9H2,1H3,(H2,20,22)(H2,21,28)(H,24,29)(H,26,27)(H,30,31)/t13-/m0/s1