(4s)-4-(n-{(1s)-1-[n-((1s)-1-{n-[(1s)-1-(n-{(1s)-2-[n-((1s)-1-(2-naphthyl)ethyl)carbamoyl]-2-oxo-1-(2,2,2-trifluoroethyl)ethyl}carbamoyl)-3-methylbutyl]carbamoyl}-2,2-dimethylpropyl)carbamoyl]-2-(2-methylphenyl)ethyl}carbamoyl)-4-[(2s)-3-carboxy-2-(3-carboxypropanoylamino)propanoylamino]butanoic acid

Structural Information

Molecular Formula

C₅₂H₆₆F₃N₇O₁₄

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](C)C2=CC3=CC=CC=C3C=C2)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/C52H66F3N7O14/c1-27(2)22-35(46(72)61-38(26-52(53,54)55)43(70)49(75)56-29(4)32-17-16-30-13-10-11-15-33(30)23-32)60-50(76)44(51(5,6)7)62-48(74)36(24-31-14-9-8-12-28(31)3)59-45(71)34(18-20-40(64)65)58-47(73)37(25-42(68)69)57-39(63)19-21-41(66)67/h8-17,23,27,29,34-38,44H,18-22,24-26H2,1-7H3,(H,56,75)(H,57,63)(H,58,73)(H,59,71)(H,60,76)(H,61,72)(H,62,74)(H,64,65)(H,66,67)(H,68,69)/t29-,34-,35-,36-,37-,38-,44+/m0/s1

InChIKey

HOTYIQRBUUORJU-OYILYVOHSA-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)-1-naphthalen-2-ylethyl]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 484542