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

Structural Information

Molecular Formula

C₆₈H₉₄N₁₂O₁₆S

SMILES

CC[C@H](C)[C@@H](C(=O)N(C)[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C3=CC=CC=C3)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)NC(=O)C

InChI

InChI=1S/C68H94N12O16S/c1-7-39(4)56(76-66(94)58(55(42-23-14-9-15-24-42)43-25-16-10-17-26-43)78-60(88)45(30-31-53(83)84)72-62(90)48(36-54(85)86)71-40(5)81)68(96)79(6)51(34-41-21-12-8-13-22-41)64(92)75-49(37-97)67(95)80-32-20-29-50(80)63(91)77-57(44-27-18-11-19-28-44)65(93)74-47(35-52(69)82)61(89)73-46(59(70)87)33-38(2)3/h9-11,14-19,23-28,38-39,41,45-51,55-58,97H,7-8,12-13,20-22,29-37H2,1-6H3,(H2,69,82)(H2,70,87)(H,71,81)(H,72,90)(H,73,89)(H,74,93)(H,75,92)(H,76,94)(H,77,91)(H,78,88)(H,83,84)(H,85,86)/t39-,45-,46-,47-,48-,49-,50-,51-,56-,57-,58-/m0/s1

InChIKey

JVFGEPBHYPGLLN-XNSRVXKGSA-N

Compound name

(4S)-4-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2R)-1-[(2S)-2-[[(1S)-2-[[(2S)-4-amino-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxo-1-phenylethyl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 485562