Geometry & MOs
Info
ID: |
324392 |
PubChem CID: |
126677566 |
Reduced: |
S2N3O6C16H25 (1) |
Stoich.: |
A2B3C6D16E25 (1) |
Weight, g/mol: |
2106.199876 |
ΔHf, kcal/mol: |
-264.61 |
Dipole, Da: |
7.22 |
IP(EA), eV: |
-8.95(-0.92) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-[(3S,6S,10S,14S,17S,20S,33R,36S)-33-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-20-[2-[[(2S)-5-[[(2S)-5-[[(2S)-5-[[(2S)-5-[[(2S)-4-[[(2R)-1-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]-3-oxopentan-2-yl]amino]acetyl]-14-(3-amino-3-oxopropyl)-3-[(4-hydroxyphenyl)methyl]-6-(1H-indol-3-ylmethyl)-10,20,33-trimethyl-17-(2-methylpropyl)-4,7,11,13,18,34,35-heptaoxo-1,2,5,9,15,16,19-heptazacyclohexatriaconta-25,27-diyn-36-yl]propanoic acid