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

Structural Information

Molecular Formula

C₆₈H₉₉N₁₁O₁₇S

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)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/C68H99N11O17S/c1-6-39(4)57(77-67(95)58(56(43-24-15-9-16-25-43)44-26-17-10-18-27-44)78-60(88)45(29-30-53(81)82)71-63(91)49(35-54(83)84)70-40(5)80)66(94)75-48(34-42-22-13-8-14-23-42)62(90)76-51(37-97)68(96)79-31-19-28-52(79)65(93)74-47(33-41-20-11-7-12-21-41)61(89)73-50(36-55(85)86)64(92)72-46(59(69)87)32-38(2)3/h9-10,15-18,24-27,38-39,41-42,45-52,56-58,97H,6-8,11-14,19-23,28-37H2,1-5H3,(H2,69,87)(H,70,80)(H,71,91)(H,72,92)(H,73,89)(H,74,93)(H,75,94)(H,76,90)(H,77,95)(H,78,88)(H,81,82)(H,83,84)(H,85,86)/t39-,45-,46-,47-,48-,49-,50-,51-,52-,57-,58-/m0/s1

InChIKey

VWHKSMZMZYCFGV-ASUSLINWSA-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-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]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 497619