Geometry & MOs
Info
ID: |
161446 |
PubChem CID: |
57391700 |
Reduced: |
ClOF2N3H14C21 (1) |
Stoich.: |
ABC2D3E14F21 (1) |
Weight, g/mol: |
1703.703127 |
ΔHf, kcal/mol: |
-38.47 |
Dipole, Da: |
5.41 |
IP(EA), eV: |
-9.25(-1.32) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(4S)-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-(4-phosphonooxyphenyl)propan-2-yl]amino]-1-oxo-3-phosphonooxybutan-2-yl]amino]-2-oxoethyl]amino]-4-[[2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoic acid