4-Amino-N-{(2R)-2-Hydroxy-2-[(10S,13S)-10-Isopropyl-8,11-Dioxo-2-Oxa-9,12-Diazabicyclo[13.2.2]Nonadeca-1(17),15,18-Trien-13-Yl]Ethyl}-N-(3-Methylbutyl)Benzenesulfonamide

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Properties Simple | Detailed

Formula C32H48N4O6S
IUPAC Name 4-amino-n-[(2r)-2-hydroxy-2-[(3s,6s)-6-isopropyl-5,8-dioxo-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(18),15(19),16-trien-3-yl]ethyl]-n-isopentyl-benzenesulfonamide
Molecular Mass 616.812 g·mol−1
Heat of Formation -1182.3 ± 16.7 kJ·mol−1
Dipole Moment 9.38 ± 1.08 D
Volume 763.71 Å 3
Surface Area 555.87 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (10s,13s,1'r)-13-[1'-hydroxy-2'-(n-p-aminobenzenesulfonyl-1''-amino-3''-methylbutyl)ethyl]-8,11-dioxo-10-isopropyl-2-oxa-9,12-diazabicyclo [13.2.2]nonadeca-15,17,18-triene
  • 4-amino-n-[(2r)-2-[(3s,6s)-5,8-dioxo-6-propan-2-yl-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(18),15(19),16-trien-3-yl]-2-hydroxy-ethyl]-n-(3-methylbutyl)benzenesulfonamide
  • 4-amino-n-[(2r)-2-[(3s,6s)-5,8-dioxo-6-propan-2-yl-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(18),15(19),16-trien-3-yl]-2-hydroxyethyl]-n-(3-methylbutyl)benzenesulfonamide
  • 4-amino-n-[(2r)-2-hydroxy-2-[(3s,6s)-6-isopropyl-5,8-diketo-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(18),15(19),16-trien-3-yl]ethyl]-n-isoamyl-benzenesulfonamide
  • 4-amino-n-[(2r)-2-hydroxy-2-[(3s,6s)-6-isopropyl-5,8-dioxo-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(18),15(19),16-trien-3-yl]ethyl]-n-isopentyl-benzenesulfonamide
  • 4-amino-n-[(2r)-2-hydroxy-2-[(3s,6s)-6-isopropyl-5,8-dioxo-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(18),15(19),16-trien-3-yl]ethyl]-n-isopentylbenzenesulfonamide
  • pi9
InChIKey FBNSKSOTNMECSA-FLBADVGZSA-N
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