Pie12

Structural Information

Molecular Formula

C₉₂H₁₂₆N₂₂O₂₅S₂

SMILES

CC(C)C[C@H](C(=O)NCC(=O)N[C@H](CCCCN)C(=O)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CS)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H]5CCCN5C(=O)[C@@H](CC6=CC=C(C=C6)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CS)NC(=O)[C@H]7CCCN7C(=O)[C@@H](CC8=CN=CN8)N

InChI

InChI=1S/C92H126N22O25S2/c1-47(2)33-63(78(124)99-43-74(117)101-62(92(138)139)17-9-10-30-93)105-80(126)60(25-28-75(118)119)103-86(132)69(44-140)111-82(128)64(34-48(3)4)106-84(130)66(37-51-41-98-58-16-8-6-14-55(51)58)108-79(125)59(24-27-73(95)116)102-83(129)65(36-50-40-97-57-15-7-5-13-54(50)57)107-81(127)61(26-29-76(120)121)104-88(134)72-19-12-32-114(72)91(137)68(35-49-20-22-53(115)23-21-49)110-85(131)67(39-77(122)123)109-87(133)70(45-141)112-89(135)71-18-11-31-113(71)90(136)56(94)38-52-42-96-46-100-52/h5-8,13-16,20-23,40-42,46-48,56,59-72,97-98,115,140-141H,9-12,17-19,24-39,43-45,93-94H2,1-4H3,(H2,95,116)(H,96,100)(H,99,124)(H,101,117)(H,102,129)(H,103,132)(H,104,134)(H,105,126)(H,106,130)(H,107,127)(H,108,125)(H,109,133)(H,110,131)(H,111,128)(H,112,135)(H,118,119)(H,120,121)(H,122,123)(H,138,139)/t56-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m1/s1

InChIKey

OPMOFWVZPSOMLN-ZSHUSTGYSA-N

Compound name

(2R)-6-amino-2-[[2-[[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-5-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-1-[(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-1-[(2R)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoic acid

Related CIDs

• CID 86573942