diethyl (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methyl-propargyl-amino]benzoyl]amino]glutaric acid diethyl ester Formula: C26H29N7O6 MolecularWeight: 535.55176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(CC#C)CC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C26H29N7O6/c1-4-13-33(15-17-14-28-22-21(29-17)24(36)32-26(27)31-22)18-9-7-16(8-10-18)23(35)30-19(25(37)39-6-3)11-12-20(34)38-5-2/h1,7-10,14,19H,5-6,11-13,15H2,2-3H3,(H,30,35)(H3,27,28,31,32,36)/t19-/m0/s1