Geometry & MOs

Info

ID:

45215

PubChem CID:

10509598

Reduced:

N5O9C45H53 (1)

Stoich.:

A5B9C45D53 (1)

Weight, g/mol:

811.447991

ΔHf, kcal/mol:

-185.83

Dipole, Da:

1.61

IP(EA), eV:

 -9.13(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(2S)-3-[[(2R)-5-amino-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl] tert-butyl carbonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)CN[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(=O)NOCC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations