Geometry & MOs

Info

ID:

223291

PubChem CID:

85334805

Reduced:

N17O24C62H105 (1)

Stoich.:

A17B24C62D105 (1)

Weight, g/mol:

1492.84357

ΔHf, kcal/mol:

-1195.38

Dipole, Da:

14.47

IP(EA), eV:

 -9.49(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-2-[[6-amino-2-[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[[4-amino-2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]hexanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C1CCCN1C(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C)N

DOS

IR

Vibrations