Geometry & MOs
Info
ID: |
324411 |
PubChem CID: |
126677622 |
Reduced: |
O3F4N7H27C28 (1) |
Stoich.: |
A3B4C7D27E28 (1) |
Weight, g/mol: |
2070.199876 |
ΔHf, kcal/mol: |
-210.32 |
Dipole, Da: |
6.75 |
IP(EA), eV: |
-8.84(-1.59) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-[(3S,6S,9R,16E,21S,24S,27S,31S,35S)-9-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-21-[2-[[(2S)-5-[[(2S)-5-[[(2S)-5-[[(2S)-4-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxobutan-2-yl]amino]-3-oxopentan-2-yl]amino]-3-oxopentan-2-yl]amino]-3-oxopentan-2-yl]amino]acetyl]-27-(3-amino-3-oxopropyl)-3-[(4-hydroxyphenyl)methyl]-35-(1H-indol-3-ylmethyl)-9,21,31-trimethyl-24-(2-methylpropyl)-4,5,8,23,26,32,34-heptaoxo-1,2,7,22,25,28,30-heptazacyclopentatriacont-16-en-6-yl]propanoic acid