Geometry & MOs
Info
ID: |
298842 |
PubChem CID: |
117661623 |
Reduced: |
N3O3C23H23 (1) |
Stoich.: |
A3B3C23D23 (1) |
Weight, g/mol: |
3150.485347 |
ΔHf, kcal/mol: |
-57.16 |
Dipole, Da: |
1.8 |
IP(EA), eV: |
-9.08(-1.64) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(4S)-4-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-[[2-[[(2S)-4-amino-2-[2-[2-[1-[[(2S)-6-amino-1-[[4-amino-1-[[(2S)-1-[[1-[[(2S)-1-[[6-amino-1-[[(2S,3R)-3-hydroxy-1-[[1-[[(2S,3R)-3-hydroxy-1-[[(5S)-1-hydroxy-5-(methylamino)-3,4-dioxo-6-sulfanylhexan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]hydrazinyl]propanoylamino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(4R)-4-(methylamino)-2,3-dioxo-5-sulfanylpentyl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid