Cryptophycin-1

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Properties Simple | Detailed

Formula C35H43ClN2O8
IUPAC Name (3s,6r,10r,13e,16s)-10-[(3-chloro-4-methoxy-phenyl)methyl]-3-isobutyl-6-methyl-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 655.178 g·mol−1
Heat of Formation -1268.3 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 802.26 Å 3
Surface Area 593.71 Å 2
HOMO Energy -9.54 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,6r,10r,13e,16s)-10-(3-chloro-4-methoxy-benzyl)-3-isobutyl-6-methyl-16-[(1s)-1-[(2r,3r)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-diquinone
  • (3s,6r,10r,13e,16s)-10-[(3-chloro-4-methoxy-phenyl)methyl]-3-isobutyl-6-methyl-16-[(1s)-1-[(2r,3r)-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
  • (3s,6r,10r,13e,16s)-10-[(3-chloro-4-methoxy-phenyl)methyl]-6-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,6r,10r,13e,16s)-10-[(3-chloro-4-methoxyphenyl)methyl]-3-isobutyl-6-methyl-16-[(1s)-1-[(2r,3r)-3-phenyl-2-oxiranyl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
  • 1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone, 10-((3-chloro-4-methoxyphenyl)methyl)-6-methyl-3-(2-methylpropyl)-16-(1-(3-phenyloxiranyl)ethyl)-
  • 10-((3-chloro-4-methoxyphenyl)methyl)-6-methyl-3-(2-methylpropyl)-16-(1-(3-phenyloxiranyl)ethyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone
  • cryptophycin 1
CAS Number(s)
  • 124689-65-2
InChIKey PSNOPSMXOBPNNV-VVCTWANISA-N
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