H-leu-gly-gln-leu-gln-pro-ser-leu-gln-thr-gly-ser-glu-glu-leu-oh

Structural Information

Molecular Formula

C₆₈H₁₁₄N₁₈O₂₆

SMILES

C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CC(C)C)N)O

InChI

InChI=1S/C68H114N18O26/c1-31(2)23-36(69)56(99)73-27-51(93)75-37(12-17-48(70)90)57(100)81-43(25-33(5)6)62(105)80-41(14-19-50(72)92)67(110)86-22-10-11-47(86)65(108)84-46(30-88)64(107)82-42(24-32(3)4)61(104)78-38(13-18-49(71)91)60(103)85-55(35(9)89)66(109)74-28-52(94)76-45(29-87)63(106)79-39(15-20-53(95)96)58(101)77-40(16-21-54(97)98)59(102)83-44(68(111)112)26-34(7)8/h31-47,55,87-89H,10-30,69H2,1-9H3,(H2,70,90)(H2,71,91)(H2,72,92)(H,73,99)(H,74,109)(H,75,93)(H,76,94)(H,77,101)(H,78,104)(H,79,106)(H,80,105)(H,81,100)(H,82,107)(H,83,102)(H,84,108)(H,85,103)(H,95,96)(H,97,98)(H,111,112)/t35-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,55+/m1/s1

InChIKey

YRQFNMZURGYWKG-LMDFNIDASA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 486212