Geometry & MOs

Info

ID:

56989

PubChem CID:

22395188

Reduced:

S3O9N10C30H56 (1)

Stoich.:

A3B9C10D30E56 (1)

Weight, g/mol:

992.496732

ΔHf, kcal/mol:

-440.48

Dipole, Da:

8.35

IP(EA), eV:

 -8.87(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[1-[[1-[[4-amino-1-[[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-oxopropan-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

CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(CS)C(=O)O)NC(=O)C(CCSC)NC(=O)C(CCCN=C(N)N)NC(=O)C(CS)N

DOS

IR

Vibrations