Geometry & MOs
Info
ID: |
161030 |
PubChem CID: |
57390566 |
Reduced: |
O2N4H18C19 (1) |
Stoich.: |
A2B4C18D19 (1) |
Weight, g/mol: |
1783.931079 |
ΔHf, kcal/mol: |
-13.82 |
Dipole, Da: |
4.25 |
IP(EA), eV: |
-9.08(-1.06) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3S)-3-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-6-(hex-5-ynoylamino)hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-oxobutanoic acid