(14R,19R,24R)-1,24-Diamino-19-{[2-({3-[(4-Aminobutyl)Amino]Propyl}Amino)-2-Oxoethyl]Carbamoyl}-14-{[(4R)-4-Amino-4-Carboxybutanoyl]Amino}-10,13,21-Trioxo-16,17-Dithia-5,9,12,20-Tetraazapentacosan-25-Oic Acid

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Properties Simple | Detailed

Formula C34H66N12O10S2
IUPAC Name (2r)-2-amino-5-[[(1r)-2-[[2-[3-(4-aminobutylamino)propylamino]-2-oxo-ethyl]amino]-1-[[[(2r)-3-[[2-[3-(4-aminobutylamino)propylamino]-2-oxo-ethyl]amino]-2-[[(4r)-4-amino-4-carboxy-butanoyl]amino]-3-oxo-propyl]disulfanyl]methyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
Molecular Mass 867.092 g·mol−1
Heat of Formation -2012.2 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 1083.95 Å 3
Surface Area 902.44 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-amino-5-[[(1r)-2-[[2-[3-(4-aminobutylamino)propylamino]-2-keto-ethyl]amino]-1-[[(2r)-3-[[2-[3-(4-aminobutylamino)propylamino]-2-keto-ethyl]amino]-2-[[(4r)-4-amino-5-hydroxy-5-keto-pentanoyl]amino]-3-keto-propyl]disulfanylmethyl]-2-keto-ethyl]amino]-5-keto-valeric acid
  • (2r)-2-amino-5-[[(1r)-2-[[2-[3-(4-aminobutylamino)propylamino]-2-oxo-ethyl]amino]-1-[[(2r)-3-[[2-[3-(4-aminobutylamino)propylamino]-2-oxo-ethyl]amino]-2-[[(4r)-4-amino-5-hydroxy-5-oxo-pentanoyl]amino]-3-oxo-propyl]disulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid
  • (2r)-2-amino-5-[[(1r)-2-[[2-[3-(4-aminobutylamino)propylamino]-2-oxoethyl]amino]-1-[[(2r)-3-[[2-[3-(4-aminobutylamino)propylamino]-2-oxoethyl]amino]-2-[[(4r)-4-amino-5-hydroxy-1,5-dioxopentyl]amino]-3-oxopropyl]disulfanylmethyl]-2-oxoethyl]amino]-5-oxopentanoic acid
  • (2r)-2-amino-5-[[(2r)-1-[[2-[3-(4-aminobutylamino)propylamino]-2-oxo-ethyl]amino]-3-[(2r)-3-[[2-[3-(4-aminobutylamino)propylamino]-2-oxo-ethyl]amino]-2-[[(4r)-4-amino-5-hydroxy-5-oxo-pentanoyl]amino]-3-oxo-propyl]disulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
  • (2r)-2-amino-5-[[(2r)-1-[[2-[3-(4-aminobutylamino)propylamino]-2-oxoethyl]amino]-3-[(2r)-3-[[2-[3-(4-aminobutylamino)propylamino]-2-oxoethyl]amino]-2-[[(4r)-4-amino-5-hydroxy-5-oxopentanoyl]amino]-3-oxopropyl]disulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
  • glutathionylspermidine disulfide
  • ts4
InChIKey HCMZDPYSWPSKSP-XPGKHFPBSA-N
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