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

Structural Information

Molecular Formula

C₆₇H₉₃N₁₁O₁₇S

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]2CCCN2C(=O)[C@H](CS)NC(=O)[C@H](CC3CCCCC3)NC(=O)[C@H]([C@@H](C)CC)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/C67H93N11O17S/c1-5-7-24-45(59(87)74-50(36-79)63(91)72-47(58(68)86)33-41-26-28-44(81)29-27-41)71-64(92)52-25-17-32-78(52)67(95)51(37-96)75-61(89)48(34-40-18-11-8-12-19-40)73-65(93)56(38(3)6-2)76-66(94)57(55(42-20-13-9-14-21-42)43-22-15-10-16-23-43)77-60(88)46(30-31-53(82)83)70-62(90)49(35-54(84)85)69-39(4)80/h9-10,13-16,20-23,26-29,38,40,45-52,55-57,79,81,96H,5-8,11-12,17-19,24-25,30-37H2,1-4H3,(H2,68,86)(H,69,80)(H,70,90)(H,71,92)(H,72,91)(H,73,93)(H,74,87)(H,75,89)(H,76,94)(H,77,88)(H,82,83)(H,84,85)/t38-,45-,46-,47-,48-,49-,50-,51-,52-,56-,57-/m0/s1

InChIKey

IOWSCVMUIGOXRR-QMNYNALRSA-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-3-(4-hydroxyphenyl)-1-oxopropan-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 497616