Geometry & MOs

Info

ID:

224160

PubChem CID:

85338960

Reduced:

SN11O14C31H51 (1)

Stoich.:

AB11C14D31E51 (1)

Weight, g/mol:

833.370803

ΔHf, kcal/mol:

-636.55

Dipole, Da:

8.31

IP(EA), eV:

 -9.05(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[1-[[2-[[2-[[1-[[1-[(1-carboxy-2-methylpropyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C(C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC1=CN=CN1)NC(=O)C(C(C)O)NC(=O)C(CS)N)O

DOS

IR

Vibrations