3-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]propionic acid Formula: C18H20N8O3 MolecularWeight: 396.4032

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NCCC(=O)O

Isomeric SMILES

CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C18H20N8O3/c1-26(9-11-8-22-16-14(23-11)15(19)24-18(20)25-16)12-4-2-10(3-5-12)17(29)21-7-6-13(27)28/h2-5,8H,6-7,9H2,1H3,(H,21,29)(H,27,28)(H4,19,20,22,24,25)