Benzyl [(9S,12S,15S)-12-(2-Amino-2-Oxoethyl)-4-Nitro-10,13-Dioxo-15-(Propylcarbamoyl)-2-Oxa-11,14-Diazatricyclo[15.2.2.1~3,7~]Docosa-1(19),3(22),4,6,17,20-Hexaen-9-Yl]Carbamate

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Properties Simple | Detailed

Formula C33H36N6O9
IUPAC Name benzyl n-[(9s,12s,15s)-12-(2-amino-2-oxo-ethyl)-4-nitro-10,13-dioxo-15-(propylcarbamoyl)-2-oxa-11,14-diazatricyclo[15.2.2.13,7]docosa-1(20),3,5,7(22),17(21),18-hexaen-9-yl]carbamate
Molecular Mass 660.674 g·mol−1
Heat of Formation -1086.7 ± 16.7 kJ·mol−1
Dipole Moment 11.39 ± 1.08 D
Volume 761.68 Å 3
Surface Area 601.04 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey CJHDBEMQNLQIBH-GSDHBNRESA-N
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