Geometry & MOs

Info

ID:

223300

PubChem CID:

85334829

Reduced:

N8O10C37H61 (2)

Stoich.:

A8B10C37D61 (2)

Weight, g/mol:

1556.888606

ΔHf, kcal/mol:

-1008.16

Dipole, Da:

8.84

IP(EA), eV:

 -9.43(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(2-aminoacetyl)amino]-5-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[[4-amino-1-[[6-amino-1-[[1-[[1-[[2-[(1-carboxy-2-hydroxypropyl)amino]-2-oxoethyl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NCC(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NC(CO)C(=O)NCC(=O)O)N

DOS

IR

Vibrations