Corticiamide B

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Properties Simple | Detailed

Formula C29H32BrCl2N9O8
IUPAC Name n-[2-[[(3r,6s,10r,13s)-3-(2-amino-2-oxo-ethyl)-10-[(5-bromoindol-3-yl)methyl]-13-hydroxy-2,5,9,12-tetraoxo-1,4,8,11-tetrazacyclotetradec-6-yl]amino]-2-oxo-ethyl]-4,5-dichloro-1-methyl-pyrrol-1-ium-2-ylium-2-carboxamide
Molecular Mass 785.430 g·mol−1
Heat of Formation -1320.2 ± 16.7 kJ·mol−1
Dipole Moment 8.26 ± 1.08 D
Volume 789.35 Å 3
Surface Area 521.51 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • n-[2-[[(3r,6s,10r,13s)-3-(2-amino-2-keto-ethyl)-10-[(5-bromo-1h-indol-3-yl)methyl]-13-hydroxy-2,5,9,12-tetraketo-1,4,8,11-tetrazacyclotetradec-6-yl]amino]-2-keto-ethyl]-4,5-dichloro-1-methyl-pyrrole-2-carboxamide
  • n-[2-[[(3r,6s,10r,13s)-3-(2-amino-2-oxo-ethyl)-10-[(5-bromo-1h-indol-3-yl)methyl]-13-hydroxy-2,5,9,12-tetraoxo-1,4,8,11-tetrazacyclotetradec-6-yl]amino]-2-oxo-ethyl]-4,5-dichloro-1-methyl-pyrrole-2-carboxamide
  • n-[2-[[(3r,6s,10r,13s)-3-(2-amino-2-oxoethyl)-10-[(5-bromo-1h-indol-3-yl)methyl]-13-hydroxy-2,5,9,12-tetraoxo-1,4,8,11-tetrazacyclotetradec-6-yl]amino]-2-oxoethyl]-4,5-dichloro-1-methyl-2-pyrrolecarboxamide
InChIKey NQEPESITNWAAHG-BNDYYXHWSA-N
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Elements C Cl H O N Br