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

Structural Information

Molecular Formula

C₆₄H₉₅N₁₁O₁₆S

SMILES

CCCC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)C

InChI

InChI=1S/C64H95N11O16S/c1-7-9-26-42(56(83)71-47(34-76)60(87)69-44(55(65)82)31-36(3)4)68-61(88)49-27-19-30-75(49)64(91)48(35-92)72-58(85)45(32-39-20-13-10-14-21-39)70-62(89)53(37(5)8-2)73-63(90)54(52(40-22-15-11-16-23-40)41-24-17-12-18-25-41)74-57(84)43(28-29-50(78)79)67-59(86)46(33-51(80)81)66-38(6)77/h11-12,15-18,22-25,36-37,39,42-49,52-54,76,92H,7-10,13-14,19-21,26-35H2,1-6H3,(H2,65,82)(H,66,77)(H,67,86)(H,68,88)(H,69,87)(H,70,89)(H,71,83)(H,72,85)(H,73,90)(H,74,84)(H,78,79)(H,80,81)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,53-,54-/m0/s1

InChIKey

DYFLXUYDBRRUCL-DMCKSZQVSA-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]-1-oxohexan-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 497617