Cryptophycin 176

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Formula C33H39ClN2O8
IUPAC Name (3s,10r,13e,16s)-10-[(3-chloro-4-hydroxy-phenyl)methyl]-3-isobutyl-16-[(1s)-1-[(2r,3r)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
Molecular Mass 627.124 g·mol−1
Heat of Formation -1271.2 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 763.18 Å 3
Surface Area 562.79 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,10r,13e,16s)-10-(3-chloro-4-hydroxy-benzyl)-3-isobutyl-16-[(1s)-1-[(2r,3r)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-diquinone
  • (3s,10r,13e,16s)-10-[(3-chloro-4-hydroxy-phenyl)methyl]-3-(2-methylpropyl)-16-[(1s)-1-[(2r,3r)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
  • (3s,10r,13e,16s)-10-[(3-chloro-4-hydroxy-phenyl)methyl]-3-isobutyl-16-[(1s)-1-[(2r,3r)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
  • (3s,10r,13e,16s)-10-[(3-chloro-4-hydroxyphenyl)methyl]-3-isobutyl-16-[(1s)-1-[(2r,3r)-3-phenyl-2-oxiranyl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
InChIKey ZOBPQYRFOOKIQZ-JZZSZVNESA-N
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