diethyl (2S)-2-[[4-[(6-aminocarbonyl-5-azanylidene-4-oxidanyl-pyrazin-2-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[4-[(6-aminocarbonyl-5-azanylidene-4-oxidanyl-pyrazin-2-yl)methyl-methyl-amino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[4-[(6-carbamoyl-4-hydroxy-5-imino-pyrazin-2-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[(6-carbamoyl-4-hydroxy-5-imino-2-pyrazinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[4-[(6-carbamoyl-4-hydroxy-5-iminopyrazin-2-yl)methyl-methylamino]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[(6-carbamoyl-4-hydroxy-5-imino-pyrazin-2-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid diethyl ester Formula: C23H30N6O7 MolecularWeight: 502.5203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN(C(=N)C(=N2)C(=O)N)O

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN(C(=N)C(=N2)C(=O)N)O

InChI

InChI=1S/C23H30N6O7/c1-4-35-18(30)11-10-17(23(33)36-5-2)27-22(32)14-6-8-16(9-7-14)28(3)12-15-13-29(34)20(24)19(26-15)21(25)31/h6-9,13,17,24,34H,4-5,10-12H2,1-3H3,(H2,25,31)(H,27,32)/t17-/m0/s1