Ac-asp-glu-dif-ile-cha-cys(me)-ala-nle-ser-tyr-nh2

Structural Information

Molecular Formula

C₆₆H₉₃N₁₁O₁₇S

SMILES

CCCC[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CS)N(C)C(=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/C66H93N11O17S/c1-7-9-25-45(59(87)74-50(35-78)62(90)72-47(57(67)85)32-41-26-28-44(80)29-27-41)70-58(86)38(4)68-63(91)51(36-95)77(6)66(94)49(33-40-19-13-10-14-20-40)73-64(92)55(37(3)8-2)75-65(93)56(54(42-21-15-11-16-22-42)43-23-17-12-18-24-43)76-60(88)46(30-31-52(81)82)71-61(89)48(34-53(83)84)69-39(5)79/h11-12,15-18,21-24,26-29,37-38,40,45-51,54-56,78,80,95H,7-10,13-14,19-20,25,30-36H2,1-6H3,(H2,67,85)(H,68,91)(H,69,79)(H,70,86)(H,71,89)(H,72,90)(H,73,92)(H,74,87)(H,75,93)(H,76,88)(H,81,82)(H,83,84)/t37-,38-,45-,46-,47-,48-,49-,50-,51-,55-,56-/m0/s1

InChIKey

OPVCLWPKBKAOCU-NIWZHLSKSA-N

Compound name

(4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]-methylamino]-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 5482370