Geometry & MOs
Info
ID: |
328297 |
PubChem CID: |
126700616 |
Reduced: |
ON3C15H15 (2) |
Stoich.: |
AB3C15D15 (2) |
Weight, g/mol: |
2042.71567 |
ΔHf, kcal/mol: |
65.13 |
Dipole, Da: |
6.59 |
IP(EA), eV: |
-7.67(-0.7) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S)-5-[[(2S)-1-[[(1R)-2-[2-[[[5-[3-[(11R,12R,21S,22S)-16-acetyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),8,10(25),13,15,17,19-nonaen-22-yl]propanoylamino]-2-[[4-[5-(6-piperidin-4-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]carbonylamino]pentanoyl]amino]carbamoyloxy]ethyldisulfanyl]-1-carboxyethyl]amino]-1,4-dioxo-4-(2-sulfoethylamino)butan-2-yl]amino]-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid