Geometry & MOs
Info
ID: |
439434 |
PubChem CID: |
135229208 |
Reduced: |
NO9C25H39 (1) |
Stoich.: |
AB9C25D39 (1) |
Weight, g/mol: |
1038.342751 |
ΔHf, kcal/mol: |
-245.23 |
Dipole, Da: |
2.17 |
IP(EA), eV: |
-9.5(0.69) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[[(2S)-3-carboxy-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxybut-3-ynyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid