Ac-asp-d-glu-leu-glu-cha-cys-pro-cha-asp-leu-nh2

Structural Information

Molecular Formula

C₅₆H₉₁N₁₁O₁₈S

SMILES

CC(C)C[C@@H](C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CS)NC(=O)[C@H](CC3CCCCC3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C56H91N11O18S/c1-29(2)22-36(47(58)76)61-54(83)40(27-46(74)75)64-52(81)39(25-32-14-9-6-10-15-32)65-55(84)42-16-11-21-67(42)56(85)41(28-86)66-53(82)38(24-31-12-7-5-8-13-31)63-50(79)35(18-20-44(70)71)60-51(80)37(23-30(3)4)62-49(78)34(17-19-43(68)69)59-48(77)33(57)26-45(72)73/h29-42,86H,5-28,57H2,1-4H3,(H2,58,76)(H,59,77)(H,60,80)(H,61,83)(H,62,78)(H,63,79)(H,64,81)(H,65,84)(H,66,82)(H,68,69)(H,70,71)(H,72,73)(H,74,75)/t33-,34+,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1

InChIKey

PQCSILUPZSSXLJ-QDXCKMEZSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-[[(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]-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 485575