Analyte Name

7-(4-(((4-((S)-2-((S)-2-amino-3-phenylpropanamido)-4-(methylthio)butanamido)benzyl)oxy)carbonyl)piperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Molecular Formula

C39H43FN6O7S

Molecular Weight

758.87

SMILES

O=C(OCC1=CC=C(NC([C@H](CCSC)NC([C@H](CC2=CC=CC=C2)N)=O)=O)C=C1)N3CCN(C4=CC(N(C5CC5)C=C(C(O)=O)C6=O)=C6C=C4F)CC3

InChI

InChI=1S/C39H43FN6O7S/c1-54-18-13-32(43-36(48)31(41)19-24-5-3-2-4-6-24)37(49)42-26-9-7-25(8-10-26)23-53-39(52)45-16-14-44(15-17-45)34-21-33-28(20-30(34)40)35(47)29(38(50)51)22-46(33)27-11-12-27/h2-10,20-22,27,31-32H,11-19,23,41H2,1H3,(H,42,49)(H,43,48)(H,50,51)/t31-,32-/m0/s1

IUPAC

7-[4-[[4-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]phenyl]methoxycarbonyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

Country of Origin

CANADA

Product Format

Neat