Geometry & MOs

Info

ID:

144562

PubChem CID:

53386078

Reduced:

NP2O8C20H35 (1)

Stoich.:

AB2C8D20E35 (1)

Weight, g/mol:

1003.445819

ΔHf, kcal/mol:

-470.67

Dipole, Da:

2.98

IP(EA), eV:

-8.73(0.14)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4S)-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-[[(2S)-4-carboxy-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]butanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCOP(=O)(C([C@H](C1=CC=C(C=C1)OC)[C@@H](C(=O)C)N)P(=O)(OCC)OCC)OCC

DOS

IR

Vibrations