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

Structural Information

Molecular Formula

C₅₄H₈₈N₁₀O₁₆S

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

InChI

InChI=1S/C54H88N10O16S/c1-29(2)23-36(46(55)72)58-52(78)40(27-45(70)71)61-50(76)39(26-33-15-10-7-11-16-33)62-53(79)42-17-12-22-64(42)54(80)41(28-81)63-51(77)38(25-32-13-8-6-9-14-32)60-48(74)35(19-21-44(68)69)57-49(75)37(24-30(3)4)59-47(73)34(56-31(5)65)18-20-43(66)67/h29-30,32-42,81H,6-28H2,1-5H3,(H2,55,72)(H,56,65)(H,57,75)(H,58,78)(H,59,73)(H,60,74)(H,61,76)(H,62,79)(H,63,77)(H,66,67)(H,68,69)(H,70,71)/t34-,35+,36+,37+,38+,39+,40+,41+,42+/m1/s1

InChIKey

XBHDLGUFKGALMM-NBGSORJVSA-N

Compound name

(4R)-4-acetamido-5-[[(2S)-1-[[(2S)-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]-3-cyclohexyl-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 485571