Ac-asp-d-glu-glu-leu-ile-cha-cys-pro-beta-cyclohexylalanine-asp-leu-pro

Structural Information

Molecular Formula

C₇₉H₁₂₅N₁₅O₂₁S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CCCCNC(=O)C)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C79H125N15O21S/c1-8-45(6)66(92-74(110)54(35-43(2)3)85-69(105)53(30-31-63(97)98)84-68(104)51(80)40-64(99)100)77(113)89-57(38-48-21-13-10-14-22-48)72(108)91-60(42-116)79(115)94-34-18-25-62(94)76(112)87-55(37-47-19-11-9-12-20-47)71(107)86-58(41-65(101)102)73(109)90-59(36-44(4)5)78(114)93-33-17-24-61(93)75(111)88-56(39-49-26-28-50(96)29-27-49)70(106)83-52(67(81)103)23-15-16-32-82-46(7)95/h26-29,43-45,47-48,51-62,66,96,116H,8-25,30-42,80H2,1-7H3,(H2,81,103)(H,82,95)(H,83,106)(H,84,104)(H,85,105)(H,86,107)(H,87,112)(H,88,111)(H,89,113)(H,90,109)(H,91,108)(H,92,110)(H,97,98)(H,99,100)(H,101,102)/t45-,51-,52-,53+,54-,55-,56-,57-,58-,59-,60-,61-,62-,66-/m0/s1

InChIKey

JHSRJRWLMGUAEP-GFKWCSHRSA-N

Compound name

(4R)-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-6-acetamido-1-amino-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 485570