Geometry & MOs
Info
ID: |
161494 |
PubChem CID: |
57391808 |
Reduced: |
NO3C18H23 (1) |
Stoich.: |
AB3C18D23 (1) |
Weight, g/mol: |
1511.668977 |
ΔHf, kcal/mol: |
-133.92 |
Dipole, Da: |
8.64 |
IP(EA), eV: |
-8.95(-0.81) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-N-[(2S)-1-[[(2R)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pentanediamide