sodium (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonylamino]propanoate

Systemtic Name: sodium (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonylamino]propanoate Openeye Name: sodium (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]propanoate CAS Name: sodium (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]propanoate IUPAC Name: sodium (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]propanoate Traditional Name: sodium (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]propionate Formula: C17H17N8NaO3 MolecularWeight: 404.35845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N.[Na+]

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N.[Na+]

InChI

InChI=1S/C17H18N8O3.Na/c1-8(16(27)28)22-15(26)9-2-4-10(5-3-9)20-6-11-7-21-14-12(23-11)13(18)24-17(19)25-14;/h2-5,7-8,20H,6H2,1H3,(H,22,26)(H,27,28)(H4,18,19,21,24,25);/q;+1/p-1/t8-;/m0./s1