Geometry & MOs

Info

ID:

223209

PubChem CID:

85334687

Reduced:

N9O11C26H42 (2)

Stoich.:

A9B11C26D42 (2)

Weight, g/mol:

1316.595671

ΔHf, kcal/mol:

-968.07

Dipole, Da:

13.58

IP(EA), eV:

 -9.53(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[[4-amino-1-[[2-[[1-[[1-[[1-[[3-carboxy-1-[[1-[[1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-[[3-carboxy-2-(2,6-diaminohexanoylamino)propanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)CN

DOS

IR

Vibrations