2'-{(5S,8S,9S,10R,13S)-15-{6-Amino-2-[(1S)-3-Amino-1-{[(2S)-2,3-Diamino-3-Oxopropyl]Amino}-3-Oxopropyl]-5-Methyl-4-Pyrimidinyl}-9-Hydroxy-5-[(1R)-1-Hydroxyethyl]-13-[(R)-Hydroxy(1H-Imidazol-5-Yl)Methyl]-8,10-Dimethyl-4,7,12,15-Tetraoxo-3,6,11,14-Tetraazapentadec-1-Yl}-N-(3-{[(1S)-1-Phenylethyl]Amino}Propyl)-2,4'-Bi-1,3-Thiazole-4-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C48H67N17O10S2
IUPAC Name 2-[2-[2-[[(2s,3r)-2-[[(2s,3s,4r)-4-[[(2s,3r)-2-[[6-amino-2-[(1s)-3-amino-1-[[(2s)-2,3-diamino-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-hydroxy-3-imidazol-1-ium-3-id-4-yl-propanoyl]amino]-3-hydroxy-2-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]ethyl]thiazol-4-yl]-n-[3-[[(1s)-1-phenylethyl]amino]propyl]thiazole-4-carboxamide
Molecular Mass 1106.283 g·mol−1
Heat of Formation -1334.1 ± 16.7 kJ·mol−1
Dipole Moment 10.52 ± 1.08 D
Volume 1308.82 Å 3
Surface Area 1084.73 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.40 ± eV
Point Group Symmetry C1
Synonyms
  • 6-amino-2-[(1s)-3-amino-1-[[(2s)-2,3-diamino-3-keto-propyl]amino]-3-keto-propyl]-n-[(1s,2r)-2-hydroxy-1-[[(1r,2s,3s)-2-hydroxy-4-[[(1s,2r)-2-hydroxy-1-[2-[4-[4-[3-[[(1s)-1-phenylethyl]amino]propylcarbamoyl]thiazol-2-yl]thiazol-2-yl]ethylcarbamoyl]propyl]amino]-4-keto-1,3-dimethyl-butyl]carbamoyl]-2-(3h-imidazol-4-yl)ethyl]-5-methyl-pyrimidine-4-carboxamide
  • 6-amino-2-[(1s)-3-amino-1-[[(2s)-2,3-diamino-3-oxo-propyl]amino]-3-oxo-propyl]-n-[(1r,2s)-1-hydroxy-3-[[(2r,3s,4s)-3-hydroxy-5-[[(2s,3r)-3-hydroxy-1-oxo-1-[2-[4-[4-[3-[[(1s)-1-phenylethyl]amino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]butan-2-yl]amino]-4-methyl-5-oxo-pentan-2-yl]amino]-1-(3h-imidazol-4-yl)-3-oxo-propan-2-yl]-5-methyl-pyrimidine-4-carboxamide
  • 6-amino-2-[(1s)-3-amino-1-[[(2s)-2,3-diamino-3-oxo-propyl]amino]-3-oxo-propyl]-n-[(1s,2r)-2-hydroxy-1-[[(1r,2s,3s)-2-hydroxy-4-[[(1s,2r)-2-hydroxy-1-[2-[4-[4-[3-[[(1s)-1-phenylethyl]amino]propylcarbamoyl]thiazol-2-yl]thiazol-2-yl]ethylcarbamoyl]propyl]amino]-1,3-dimethyl-4-oxo-butyl]carbamoyl]-2-(3h-imidazol-4-yl)ethyl]-5-methyl-pyrimidine-4-carboxamide
  • 6-amino-2-[(1s)-3-amino-1-[[(2s)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-n-[(1r,2s)-1-hydroxy-3-[[(2r,3s,4s)-3-hydroxy-5-[[(2s,3r)-3-hydroxy-1-oxo-1-[2-[4-[4-[3-[[(1s)-1-phenylethyl]amino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]butan-2-yl]amino]-4-methyl-5-oxopentan-2-yl]amino]-1-(3h-imidazol-4-yl)-3-oxopropan-2-yl]-5-methylpyrimidine-4-carboxamide
  • 6-amino-2-[(1s)-3-amino-1-[[(2s)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-n-[(1s,2r)-2-hydroxy-1-[[[(1r,2s,3s)-2-hydroxy-4-[[(1s,2r)-2-hydroxy-1-[oxo-[2-[4-[4-[oxo-[3-[[(1s)-1-phenylethyl]amino]propylamino]methyl]-2-thiazolyl]-2-thiazolyl]ethylamino]methyl]propyl]amino]-1,3-dimethyl-4-oxobutyl]amino]-oxomethyl]-2-(3h-imidazol-4-yl)ethyl]-5-methyl-4-pyrimidinecarboxamide
  • pmy
InChIKey RTKDONJKKYUNIT-HJVYYLMSSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N