(2S)-5-azanyl-2-[[4-[(4-azanylpteridin-6-yl)methylamino]phenyl]carbonylamino]pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[[4-[(4-azanylpteridin-6-yl)methylamino]phenyl]carbonylamino]pentanoic acid Openeye Name: (2S)-5-amino-2-[[4-[(4-aminopteridin-6-yl)methylamino]benzoyl]amino]pentanoic acid CAS Name: (2S)-5-amino-2-[[[4-[(4-amino-6-pteridinyl)methylamino]phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-5-amino-2-[[4-[(4-aminopteridin-6-yl)methylamino]benzoyl]amino]pentanoic acid Traditional Name: (2S)-5-amino-2-[[4-[(4-aminopteridin-6-yl)methylamino]benzoyl]amino]valeric acid Formula: C19H22N8O3 MolecularWeight: 410.42978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCCN)C(=O)O)NCC2=CN=C3C(=N2)C(=NC=N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CCCN)C(=O)O)NCC2=CN=C3C(=N2)C(=NC=N3)N

InChI

InChI=1S/C19H22N8O3/c20-7-1-2-14(19(29)30)27-18(28)11-3-5-12(6-4-11)22-8-13-9-23-17-15(26-13)16(21)24-10-25-17/h3-6,9-10,14,22H,1-2,7-8,20H2,(H,27,28)(H,29,30)(H2,21,23,24,25)/t14-/m0/s1