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

Structural Information

Molecular Formula

C₆₅H₉₅N₁₁O₁₇S

SMILES

CCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CS)NC(=O)[C@H](CC2CCCCC2)N(C)C(=O)[C@H]([C@@H](C)CC)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/C65H95N11O17S/c1-8-20-42(57(85)71-46(34-52(82)83)60(88)70-44(56(66)84)31-36(3)4)69-61(89)48-27-19-30-76(48)64(92)47(35-94)72-62(90)49(32-39-21-13-10-14-22-39)75(7)65(93)54(37(5)9-2)73-63(91)55(53(40-23-15-11-16-24-40)41-25-17-12-18-26-41)74-58(86)43(28-29-50(78)79)68-59(87)45(33-51(80)81)67-38(6)77/h11-12,15-18,23-26,36-37,39,42-49,53-55,94H,8-10,13-14,19-22,27-35H2,1-7H3,(H2,66,84)(H,67,77)(H,68,87)(H,69,89)(H,70,88)(H,71,85)(H,72,90)(H,73,91)(H,74,86)(H,78,79)(H,80,81)(H,82,83)/t37-,42-,43-,44-,45-,46-,47-,48-,49-,54-,55-/m0/s1

InChIKey

PCIQETRLCHZXNE-DTBNNWSGSA-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-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-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 485553