Geometry & MOs

Info

ID:

223270

PubChem CID:

85334771

Reduced:

O15N16C68H122 (1)

Stoich.:

A15B16C68D122 (1)

Weight, g/mol:

1404.724894

ΔHf, kcal/mol:

-821.24

Dipole, Da:

16.42

IP(EA), eV:

 -9.68(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[6-amino-1-[[1-[[1-[(1-carboxy-2-methylpropyl)amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[(2-amino-3-hydroxypropanoyl)amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C)C(=O)NC(C)C(=O)N1CCCC1C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCCCN)N

DOS

IR

Vibrations