Geometry & MOs

Info

ID:

45289

PubChem CID:

10510716

Reduced:

O4C50H93 (2)

Stoich.:

A4B50C93 (2)

Weight, g/mol:

1579.839213

ΔHf, kcal/mol:

-647.65

Dipole, Da:

6.22

IP(EA), eV:

-9.37(0.28)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4S)-5-[[(2S,3R)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C[C@@H](CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COCC1=CC=CC=C1)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CO)CCC[C@H](C)CC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COCC2=CC=CC=C2)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CO

DOS

IR

Vibrations