Ac-asp-glu-dif-ile-cha-cys-pro-nle-hyp-leu

Structural Information

Molecular Formula

C₆₆H₉₇N₁₁O₁₆S

SMILES

CCC[C@@H](C(=O)N1CC(C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CS)NC(=O)[C@H](CC3CCCCC3)N(C)C(=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/C66H97N11O16S/c1-8-20-45(64(91)77-35-43(79)33-51(77)62(89)71-46(57(67)84)31-37(3)4)70-60(87)49-27-19-30-76(49)65(92)48(36-94)72-61(88)50(32-40-21-13-10-14-22-40)75(7)66(93)55(38(5)9-2)73-63(90)56(54(41-23-15-11-16-24-41)42-25-17-12-18-26-42)74-58(85)44(28-29-52(80)81)69-59(86)47(34-53(82)83)68-39(6)78/h11-12,15-18,23-26,37-38,40,43-51,54-56,79,94H,8-10,13-14,19-22,27-36H2,1-7H3,(H2,67,84)(H,68,78)(H,69,86)(H,70,87)(H,71,89)(H,72,88)(H,73,90)(H,74,85)(H,80,81)(H,82,83)/t38-,43?,44-,45-,46-,47-,48-,49-,50-,51-,55-,56-/m0/s1

InChIKey

LMYDDKFXDBWMDB-PPBIOHBVSA-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)-2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-4-hydroxypyrrolidin-1-yl]-1-oxopentan-2-yl]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 485552