Geometry & MOs
Info
ID: |
324400 |
PubChem CID: |
126677582 |
Reduced: |
ISN3C9H16 (1) |
Stoich.: |
ABC3D9E16 (1) |
Weight, g/mol: |
2110.268705 |
ΔHf, kcal/mol: |
47.1 |
Dipole, Da: |
4.81 |
IP(EA), eV: |
-9.51(-0.99) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(4S,7R)-7-[[(E,2S,4Z)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-ethylidene-6-fluorohept-5-enoyl]amino]-4-[2-[(2S)-1-[[(2S)-4-[[(2S,6S)-9-amino-6-[2-[(2S)-1-[[(3S)-1-[[(2S)-5-[[(2S,7S)-7-[[(4S)-4-[[(4S)-4-[[[(2R)-1-amino-1-oxopropan-2-yl]amino]methylamino]-3-oxopentyl]amino]-3-oxopentyl]amino]-3,6-dioxooctan-2-yl]amino]-3-oxopentan-2-yl]amino]-3-methyl-2-oxooctan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]hydrazinyl]-3,5,9-trioxononan-2-yl]amino]-1-(1H-indol-3-yl)-3-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hydrazinyl]-7-methyl-5,6-dioxododecanoic acid