Edsdtyicevedqkee

Structural Information

Molecular Formula

C₈₅H₁₂₄N₁₈O₃₇S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C85H124N18O37S/c1-6-40(4)68(102-78(132)52(32-42-15-17-44(106)18-16-42)98-84(138)69(41(5)105)103-79(133)55(35-66(122)123)97-80(134)56(36-104)99-77(131)53(33-64(118)119)95-70(124)45(87)19-26-59(108)109)83(137)100-57(38-141-37-43-12-8-7-9-13-43)81(135)92-50(23-29-62(114)115)75(129)101-67(39(2)3)82(136)93-49(22-28-61(112)113)74(128)96-54(34-65(120)121)76(130)91-47(20-25-58(88)107)72(126)89-46(14-10-11-31-86)71(125)90-48(21-27-60(110)111)73(127)94-51(85(139)140)24-30-63(116)117/h7-9,12-13,15-18,39-41,45-57,67-69,104-106H,6,10-11,14,19-38,86-87H2,1-5H3,(H2,88,107)(H,89,126)(H,90,125)(H,91,130)(H,92,135)(H,93,136)(H,94,127)(H,95,124)(H,96,128)(H,97,134)(H,98,138)(H,99,131)(H,100,137)(H,101,129)(H,102,132)(H,103,133)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,120,121)(H,122,123)(H,139,140)/t40-,41+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,67-,68-,69-/m0/s1

InChIKey

IRKMDMDPESLIKR-WFVYBDKVSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-benzylsulfanylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid

Related CIDs

• CID 16130296