Ac-asp-glu-3,3-diphenylalanine-ile-beta-cyclohexylalanine-cys(me)-ala-ser-his-leu-nh2

Structural Information

Molecular Formula

C₆₃H₉₁N₁₃O₁₆S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N(C)[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC(C)C)C(=O)N)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/C63H91N13O16S/c1-8-35(4)52(74-62(91)53(51(39-20-14-10-15-21-39)40-22-16-11-17-23-40)75-56(85)42(24-25-49(79)80)69-58(87)45(29-50(81)82)68-37(6)78)61(90)72-46(27-38-18-12-9-13-19-38)63(92)76(7)48(32-93)60(89)67-36(5)55(84)73-47(31-77)59(88)71-44(28-41-30-65-33-66-41)57(86)70-43(54(64)83)26-34(2)3/h10-11,14-17,20-23,30,33-36,38,42-48,51-53,77,93H,8-9,12-13,18-19,24-29,31-32H2,1-7H3,(H2,64,83)(H,65,66)(H,67,89)(H,68,78)(H,69,87)(H,70,86)(H,71,88)(H,72,90)(H,73,84)(H,74,91)(H,75,85)(H,79,80)(H,81,82)/t35-,36-,42-,43-,44-,45-,46-,47-,48-,52-,53-/m0/s1

InChIKey

OGWAYIJBRRDHLM-WDBQQPSZSA-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-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-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 5482369