Geometry & MOs

Info

ID:

128126

PubChem CID:

51031877

Reduced:

N3O4C34H35 (1)

Stoich.:

A3B4C34D35 (1)

Weight, g/mol:

2284.426205

ΔHf, kcal/mol:

-66.12

Dipole, Da:

4.44

IP(EA), eV:

-9.08(-0.74)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-6-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]butanediamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)CC(=O)NC2=CC=CC=C2C(=N[C@H]([C@@H](CCO)C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations