Geometry & MOs

Info

ID:

56977

PubChem CID:

22395176

Reduced:

N9O10C36H65 (1)

Stoich.:

A9B10C36D65 (1)

Weight, g/mol:

1050.502212

ΔHf, kcal/mol:

-540.42

Dipole, Da:

8.33

IP(EA), eV:

 -9.9(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[1-[[1-[[4-amino-1-[[4-carboxy-1-[[1-[[1-[(1-carboxy-2-hydroxypropyl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(C(C)C)C(=O)NC(C(C)CC)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC(=O)N)N

DOS

IR

Vibrations