Geometry & MOs

Info

ID:

223192

PubChem CID:

85334661

Reduced:

N4O4C15H22 (4)

Stoich.:

A4B4C15D22 (4)

Weight, g/mol:

1289.697951

ΔHf, kcal/mol:

-636.25

Dipole, Da:

16.69

IP(EA), eV:

 -9.15(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[4-amino-2-[[6-amino-2-[[2-[[2-[(2-amino-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations