Geometry & MOs

Info

ID:

223208

PubChem CID:

85334686

Reduced:

N17O22C53H85 (1)

Stoich.:

A17B22C53D85 (1)

Weight, g/mol:

1312.600756

ΔHf, kcal/mol:

-1026.29

Dipole, Da:

16.57

IP(EA), eV:

 -9.42(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(CC1=CN=CN1)C(=O)O)NC(=O)C2CCCN2C(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CO)N

DOS

IR

Vibrations