Geometry & MOs
Info
ID: |
144143 |
PubChem CID: |
53320122 |
Reduced: |
NOC23H29 (1) |
Stoich.: |
ABC23D29 (1) |
Weight, g/mol: |
1813.821472 |
ΔHf, kcal/mol: |
1.54 |
Dipole, Da: |
2.5 |
IP(EA), eV: |
-8.66(0.27) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3S)-3-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-4-[[(2S)-1-[[(3S,9S,12S,15S,18R,23R,26S,29S)-23-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]-15-(2-amino-2-oxoethyl)-26-(1H-imidazol-5-ylmethyl)-12-(1H-indol-3-ylmethyl)-3-(2-methylpropyl)-2,5,8,11,14,17,25,28-octaoxo-9-propan-2-yl-20,21-dithia-1,4,7,10,13,16,24,27-octazabicyclo[27.3.0]dotriacontan-18-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid