ditert-butyl (2S)-2-[[4-[(4-azanylpteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioate

Systemtic Name: ditert-butyl (2S)-2-[[4-[(4-azanylpteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioate Openeye Name: ditert-butyl (2S)-2-[[4-[(4-aminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[(4-amino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S)-2-[[4-[(4-aminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[(4-aminopteridin-6-yl)methylamino]benzoyl]amino]glutaric acid ditert-butyl ester Formula: C27H35N7O5 MolecularWeight: 537.6107

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)OC(C)(C)C)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=NC=N3)N

Isomeric SMILES

CC(C)(C)OC(=O)CC[C@@H](C(=O)OC(C)(C)C)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=NC=N3)N

InChI

InChI=1S/C27H35N7O5/c1-26(2,3)38-20(35)12-11-19(25(37)39-27(4,5)6)34-24(36)16-7-9-17(10-8-16)29-13-18-14-30-23-21(33-18)22(28)31-15-32-23/h7-10,14-15,19,29H,11-13H2,1-6H3,(H,34,36)(H2,28,30,31,32)/t19-/m0/s1