(2S)-1-{(2R)-2-[(8S,11S)-8-(2-Amino-2-Oxoethyl)-6,9-Dioxo-2-Oxa-7,10-Diazabicyclo[11.2.2]Heptadeca-1(15),13,16-Trien-11-Yl]-2-Hydroxyethyl}-N-(2-Methyl-2-Propanyl)-2-Piperidinecarboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C28H43N5O6
IUPAC Name (2s)-1-[(2r)-2-[(8s,11s)-8-(2-amino-2-oxo-ethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-11-yl]-2-hydroxy-ethyl]-n-tert-butyl-piperidine-2-carboxamide
Molecular Mass 545.671 g·mol−1
Heat of Formation -1198.6 ± 16.7 kJ·mol−1
Dipole Moment 7.49 ± 1.08 D
Volume 678.82 Å 3
Surface Area 482.14 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (1-{(2r)-2-[4,7-diaza-6-(carbamoylmethyl)-12-oxa-5,8-dioxobicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-3-yl]-2-hydroxyethyl}(2s)(2-piperidyl))-n-(tert-butyl)carboxamide
  • (2s)-1-[(2r)-2-[(3s,6s)-6-(2-amino-2-keto-ethyl)-5,8-diketo-12-oxa-4,7-diazabicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-3-yl]-2-hydroxy-ethyl]-n-tert-butyl-pipecolinamide
  • (2s)-1-[(2r)-2-[(3s,6s)-6-(2-amino-2-oxo-ethyl)-5,8-dioxo-12-oxa-4,7-diazabicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-3-yl]-2-hydroxy-ethyl]-n-tert-butyl-piperidine-2-carboxamide
  • (2s)-1-[(2r)-2-[(3s,6s)-6-(2-amino-2-oxoethyl)-5,8-dioxo-12-oxa-4,7-diazabicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-3-yl]-2-hydroxyethyl]-n-tert-butyl-2-piperidinecarboxamide
  • (2s)-1-[(2r)-2-[(3s,6s)-6-(2-amino-2-oxoethyl)-5,8-dioxo-12-oxa-4,7-diazabicyclo[11.2.2]heptadeca-1(16),13(17),14-trien-3-yl]-2-hydroxyethyl]-n-tert-butylpiperidine-2-carboxamide
  • 1-[2-(8-carbamoylmethyl-6,9-dioxo-2-oxa-7,10-diaza-bicyclo[11.2.2]heptadeca- 1(16),13(17),14-trien-11-yl)-2-hydroxy-ethyl]-piperidine-2-carboxylic acid tert-butylamide
  • asn-phe-pip macrocylic deriv.
  • macrocyclic peptidomimetic inhibitor 4
  • pi4
InChIKey GHEDXAXQQMZPLE-CWBXHPNXSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N