89S

Nalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(pyridin-4-yl)methyl]-L-tyrosinamide


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Chemical Component Summary

NameNalpha-[trans-4-(aminomethyl)cyclohexane-1-carbonyl]-N-octyl-O-[(pyridin-4-yl)methyl]-L-tyrosinamide
Identifiers4-(aminomethyl)-~{N}-[(2~{S})-1-(octylamino)-1-oxidanylidene-3-[4-(pyridin-4-ylmethoxy)phenyl]propan-2-yl]cyclohexane-1-carboxamide
FormulaC31 H46 N4 O3
Molecular Weight522.722
TypeNON-POLYMER
Isomeric SMILESCCCCCCCCNC(=O)[C@H](Cc1ccc(cc1)OCc2ccncc2)NC(=O)C3CCC(CC3)CN
InChIInChI=1S/C31H46N4O3/c1-2-3-4-5-6-7-18-34-31(37)29(35-30(36)27-12-8-25(22-32)9-13-27)21-24-10-14-28(15-11-24)38-23-26-16-19-33-20-17-26/h10-11,14-17,19-20,25,27,29H,2-9,12-13,18,21-23,32H2,1H3,(H,34,37)(H,35,36)/t25-,27-,29-/m0/s1
InChIKeyZBCXDUNUUKRQSV-RWPDHJIBSA-N

Chemical Details

Formal Charge0
Atom Count84
Chiral Atom Count1
Bond Count86
Aromatic Bond Count12