Geometry & MOs

Info

ID:

190371

PubChem CID:

77992964

Reduced:

S2N12O15C53H82 (1)

Stoich.:

A2B12C15D53E82 (1)

Weight, g/mol:

807.420062

ΔHf, kcal/mol:

-590.83

Dipole, Da:

5.28

IP(EA), eV:

 -8.36(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-4-[[1-[[1-[[1-[[2-[[1-[(1-carboxy-3-methylsulfanylpropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CCSC)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations