Geometry & MOs
Info
ID: |
59159 |
PubChem CID: |
24771366 |
Reduced: |
ClO2N3C21H26 (1) |
Stoich.: |
AB2C3D21E26 (1) |
Weight, g/mol: |
996.495018 |
ΔHf, kcal/mol: |
-49.45 |
Dipole, Da: |
4.34 |
IP(EA), eV: |
-8.7(-0.72) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]-5-[[2-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid