Schembl7440726

Structural Information

Molecular Formula

C₅₀H₆₈F₃N₇O₁₄

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(=O)N[C@H](C2=CC=CC=C2)C(C)C)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/C50H68F3N7O14/c1-26(2)22-32(44(70)58-35(25-50(51,52)53)41(68)47(73)59-40(27(3)4)29-15-10-9-11-16-29)57-48(74)42(49(6,7)8)60-46(72)33(23-30-17-13-12-14-28(30)5)56-43(69)31(18-20-37(62)63)55-45(71)34(24-39(66)67)54-36(61)19-21-38(64)65/h9-17,26-27,31-35,40,42H,18-25H2,1-8H3,(H,54,61)(H,55,71)(H,56,69)(H,57,74)(H,58,70)(H,59,73)(H,60,72)(H,62,63)(H,64,65)(H,66,67)/t31-,32-,33-,34-,35-,40-,42+/m0/s1

InChIKey

SQQFGHYTWWEYTB-YIKNQNRWSA-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-[[(3S)-1,1,1-trifluoro-5-[[(1S)-2-methyl-1-phenylpropyl]amino]-4,5-dioxopentan-3-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 484539