Ac-asp-glu-3,3-diphenylalanine-ile-beta-cyclohexylalanine-cys-pro-beta-cyclohexylalanine--ser-leu-nh2

Structural Information

Molecular Formula

C₆₇H₉₉N₁₁O₁₆S

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](CO)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](C(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C

InChI

InChI=1S/C67H99N11O16S/c1-6-39(4)56(76-66(93)57(55(43-24-15-9-16-25-43)44-26-17-10-18-27-44)77-59(86)45(29-30-53(81)82)70-62(89)49(35-54(83)84)69-40(5)80)65(92)73-48(34-42-22-13-8-14-23-42)61(88)75-51(37-95)67(94)78-31-19-28-52(78)64(91)72-47(33-41-20-11-7-12-21-41)60(87)74-50(36-79)63(90)71-46(58(68)85)32-38(2)3/h9-10,15-18,24-27,38-39,41-42,45-52,55-57,79,95H,6-8,11-14,19-23,28-37H2,1-5H3,(H2,68,85)(H,69,80)(H,70,89)(H,71,90)(H,72,91)(H,73,92)(H,74,87)(H,75,88)(H,76,93)(H,77,86)(H,81,82)(H,83,84)/t39-,45-,46-,47-,48-,49-,50-,51-,52-,56-,57-/m0/s1

InChIKey

UESMGKLUDTTWER-MUPZNAFLSA-N

Compound name

(4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-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]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 497618