Schembl8133919

Structural Information

Molecular Formula

C₃₉H₅₅F₃N₆O₁₃

SMILES

CC1=CC=CC=C1C[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)(F)F)C=O)C(C)(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O

InChI

InChI=1S/C39H55F3N6O13/c1-20(2)15-25(34(58)43-23(19-49)18-39(40,41)42)47-37(61)32(38(4,5)6)48-36(60)26(16-22-10-8-7-9-21(22)3)46-33(57)24(11-13-29(51)52)45-35(59)27(17-31(55)56)44-28(50)12-14-30(53)54/h7-10,19-20,23-27,32H,11-18H2,1-6H3,(H,43,58)(H,44,50)(H,45,59)(H,46,57)(H,47,61)(H,48,60)(H,51,52)(H,53,54)(H,55,56)/t23-,24-,25-,26-,27-,32+/m0/s1

InChIKey

LKNKFZBNNXEBSW-YTUWKZFMSA-N

Compound name

(4S)-4-[[(2S)-3-carboxy-2-(3-carboxypropanoylamino)propanoyl]amino]-5-[[(2S)-1-[[(2S)-3,3-dimethyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-4,4,4-trifluoro-1-oxobutan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(2-methylphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 3011826