Geometry & MOs

Info

ID:

223283

PubChem CID:

85334795

Reduced:

SN17O21C62H99 (1)

Stoich.:

AB17C21D62E99 (1)

Weight, g/mol:

1454.691293

ΔHf, kcal/mol:

-985.85

Dipole, Da:

10.04

IP(EA), eV:

 -8.73(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCCC1C(=O)NC(C(C)O)C(=O)N2CCCC2C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CS)NC(=O)C(CC(C)C)N

DOS

IR

Vibrations