Geometry & MOs

Info

ID:

56982

PubChem CID:

22395181

Reduced:

S2N7O8C29H53 (1)

Stoich.:

A2B7C8D29E53 (1)

Weight, g/mol:

1354.616213

ΔHf, kcal/mol:

-426.76

Dipole, Da:

7.57

IP(EA), eV:

 -9.53(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[[1-[[4-amino-1-[[1-[[1-[[1-[[1-[[1-[(1-carboxy-2-sulfanylethyl)amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[(2-amino-3-sulfanylpropanoyl)amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CS)C(=O)O)NC(=O)C(CS)N

DOS

IR

Vibrations