(2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonylamino]-4-(2H-1,2,3,4-tetrazol-5-yl)butanoic acid

Systemtic Name: (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]carbonylamino]-4-(2H-1,2,3,4-tetrazol-5-yl)butanoic acid Openeye Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid CAS Name: (2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid IUPAC Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-4-(2H-tetrazol-5-yl)butanoic acid Traditional Name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]-4-(2H-tetrazol-5-yl)butyric acid Formula: C19H20N12O3 MolecularWeight: 464.4407

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC2=NNN=N2)C(=O)O)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CCC2=NNN=N2)C(=O)O)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N

InChI

InChI=1S/C19H20N12O3/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(32)25-12(18(33)34)5-6-13-28-30-31-29-13/h1-4,8,12,22H,5-7H2,(H,25,32)(H,33,34)(H,28,29,30,31)(H4,20,21,23,26,27)/t12-/m0/s1