Ac-asp-glu-dif-ile-cha-cys-pro-cha-asp-leu-nh2

Structural Information

Molecular Formula

C₆₆H₉₈N₁₂O₁₅S

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)N)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)N

InChI

InChI=1S/C66H98N12O15S/c1-5-38(4)55(76-65(92)56(54(41-23-14-8-15-24-41)42-25-16-9-17-26-42)77-59(86)44(28-29-52(80)81)70-58(85)43(67)34-53(82)83)64(91)74-47(33-40-21-12-7-13-22-40)61(88)75-49(36-94)66(93)78-30-18-27-50(78)63(90)73-46(32-39-19-10-6-11-20-39)60(87)72-48(35-51(68)79)62(89)71-45(57(69)84)31-37(2)3/h8-9,14-17,23-26,37-40,43-50,54-56,94H,5-7,10-13,18-22,27-36,67H2,1-4H3,(H2,68,79)(H2,69,84)(H,70,85)(H,71,89)(H,72,87)(H,73,90)(H,74,91)(H,75,88)(H,76,92)(H,77,86)(H,80,81)(H,82,83)/t38-,43-,44-,45-,46-,47-,48-,49-,50-,55-,56-/m0/s1

InChIKey

UDAODGWGXKPZCW-WWKXRTJJSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-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]-4-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 485568