diethyl (2S)-2-[[5-[1-[2,4-bis(azanyl)pteridin-6-yl]butan-2-yl]thiophen-2-yl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[5-[1-[2,4-bis(azanyl)pteridin-6-yl]butan-2-yl]thiophen-2-yl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[5-[1-[(2,4-diaminopteridin-6-yl)methyl]propyl]thiophene-2-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[[5-[1-(2,4-diamino-6-pteridinyl)butan-2-yl]-2-thiophenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[5-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]thiophene-2-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[[5-[1-[(2,4-diaminopteridin-6-yl)methyl]propyl]thiophene-2-carbonyl]amino]glutaric acid diethyl ester Formula: C24H31N7O5S MolecularWeight: 529.61184

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(S3)C(=O)NC(CCC(=O)OCC)C(=O)OCC

Isomeric SMILES

CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(S3)C(=O)N[C@@H](CCC(=O)OCC)C(=O)OCC

InChI

InChI=1S/C24H31N7O5S/c1-4-13(11-14-12-27-21-19(28-14)20(25)30-24(26)31-21)16-8-9-17(37-16)22(33)29-15(23(34)36-6-3)7-10-18(32)35-5-2/h8-9,12-13,15H,4-7,10-11H2,1-3H3,(H,29,33)(H4,25,26,27,30,31)/t13?,15-/m0/s1