906480-09-9

Angiopep-2-Cys

IUPAC Name: (2R,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,38S,41S,50S,53S,56S,59S,60R)-59-amino-23,26-bis(2-amino-2-oxoethyl)-17,32-bis(4-aminobutyl)-20,53,56-tribenzyl-8,11-bis(2-carboxyethyl)-29,38-bis(3-guanidinopropyl)-60-hydroxy-5,50-bis(4-hydroxybenzyl)-14-((R)-1-hydroxyethyl)-41-(hydroxymethyl)-2-(mercaptomethyl)-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58-nonadecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaazahenhexacontanoic acid

InChIKey: NTEVJSCQHIRPSH-ZYRNEBAYSA-N

SMILES: C[C@@H](O)[C@H](N)C(N[C@@H](CC1=CC=CC=C1)C(N[C@H](C(N[C@H](C(NCC(NCC(N[C@@H](CO)C(N[C@@H](CCCNC(N)=N)C(NCC(N[C@@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(N)=O)C(N[C@H](C(N[C@@H](CCCCN)C(N[C@]([C@H](O)C)([H])C(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(O)=O)C(N[C@H](C(N[C@@H](CS)C(O)=O)=O)CC2=CC=C(O)C=C2)=O)=O)=O)=O)=O)CC3=CC=CC=C3)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CC4=CC=C(O)C=C4)=O)CC5=CC=CC=C5)=O)=O