664334-36-5

Motixafortide

Synonym(s): BKT140 (4-fluorobenzoyl); BL-8040; TF14016

IUPAC Name: (3S,6S,9S,12R,17R,20S,23S,26S,29R,34aS)-N-((S)-1-amino-5-guanidino-1-oxopentan-2-yl)-26,29-bis(4-aminobutyl)-17-((S)-2-((S)-2-((S)-2-(4-fluorobenzamido)-5-guanidinopentanamido)-5-guanidinopentanamido)-3-(naphthalen-2-yl)propanamido)-6-(3-guanidinopropyl)-3,20-bis(4-hydroxybenzyl)-1,4,7,10,18,21,24,27,30-nonaoxo-9,23-bis(3-ureidopropyl)triacontahydro-1H,16H-pyrrolo[2,1-p][1,2]dithia[5,8,11,14,17,20,23,26,29]nonaazacyclodotriacontine-12-carboxamide

InChIKey: JJVZSYKFCOBILL-KZGZZEQFSA-N

SMILES: O=C1[C@@]2([H])N(CCC2)C([C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CSSC[C@H](NC([C@@H](NC([C@@H](NC([C@@H](N1)CC3=CC=C(C=C3)O)=O)CCCNC(N)=N)=O)CCCNC(N)=O)=O)C(N[C@H](C(N)=O)CCCNC(N)=N)=O)NC([C@@H](NC([C@H](CCCNC(N)=N)NC([C@H](CCCNC(N)=N)NC(C4=CC=C(C=C4)F)=O)=O)=O)CC5=CC6=C(C=CC=C6)C=C5)=O)=O)CC7=CC=C(C=C7)O)=O)CCCNC(N)=O)=O)CCCCN)=O)CCCCN)=O