(2R,6S,13Ar,14Ar,16As)-6-{[(Cyclopentyloxy)Carbonyl]Amino}-14A-[(Cyclopropylsulfonyl)Carbamoyl]-5,16-Dioxooctadecahydrocyclopropa[E]Pyrrolo[1,2-A][1,4]Diazacyclopentadecin-2-Yl 3,4-Dihydro-2(1H)-Isoqu Inolinecarboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C37H51N5O9S
IUPAC Name (2r,6s,13ar,14ar,16as)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydro-2(1h)-isoquinolinecarboxylate
Molecular Mass 741.894 g·mol−1
Heat of Formation -1486.6 ± 16.7 kJ·mol−1
Dipole Moment 10.62 ± 1.08 D
Volume 866.41 Å 3
Surface Area 639.47 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
InChIKey VQZYSHWAKCNHJX-IVYVMHIUSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N