Geometry & MOs

Info

ID:

223146

PubChem CID:

85334591

Reduced:

SN14O18C53H78 (1)

Stoich.:

AB14C18D53E78 (1)

Weight, g/mol:

1230.516165

ΔHf, kcal/mol:

-830.64

Dipole, Da:

3.82

IP(EA), eV:

 -8.76(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[[1-[[1-[[5-amino-1-[[1-[[1-[[4-carboxy-1-[(1-carboxy-2-methylpropyl)amino]-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-(2-aminopropanoylamino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CC2=CN=CN2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)NC(=O)C(CCC(=O)N)N

DOS

IR

Vibrations