Nh2-ala-pro-glu-arg-ala-ser-ser-val-tyr-thr-arg-ser-thr-gly-glu-gln-glu-ile-cooh

Structural Information

Molecular Formula

C₈₂H₁₃₃N₂₅O₃₂

SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N

InChI

InChI=1S/C82H133N25O32/c1-9-37(4)61(80(138)139)104-70(128)49(23-27-59(120)121)96-68(126)47(20-24-55(84)114)95-67(125)46(21-25-57(116)117)93-56(115)32-91-76(134)62(40(7)111)105-74(132)53(35-110)101-66(124)45(14-11-29-90-82(87)88)98-78(136)63(41(8)112)106-71(129)50(31-42-16-18-43(113)19-17-42)99-77(135)60(36(2)3)103-73(131)52(34-109)102-72(130)51(33-108)100-64(122)39(6)92-65(123)44(13-10-28-89-81(85)86)94-69(127)48(22-26-58(118)119)97-75(133)54-15-12-30-107(54)79(137)38(5)83/h16-19,36-41,44-54,60-63,108-113H,9-15,20-35,83H2,1-8H3,(H2,84,114)(H,91,134)(H,92,123)(H,93,115)(H,94,127)(H,95,125)(H,96,126)(H,97,133)(H,98,136)(H,99,135)(H,100,122)(H,101,124)(H,102,130)(H,103,131)(H,104,128)(H,105,132)(H,106,129)(H,116,117)(H,118,119)(H,120,121)(H,138,139)(H4,85,86,89)(H4,87,88,90)/t37-,38-,39-,40+,41+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,60-,61-,62-,63-/m0/s1

InChIKey

AUQCIXMWUDARNY-BYHMSSJXSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16728444