Krekklgefgkakgsrai

Structural Information

Molecular Formula

C₈₈H₁₅₅N₂₉O₂₄

SMILES

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

InChI

InChI=1S/C88H155N29O24/c1-7-50(4)71(86(140)141)117-73(127)52(6)105-79(133)59(30-21-41-99-87(95)96)113-85(139)65(48-118)108-68(121)47-101-75(129)55(26-12-17-37-90)109-72(126)51(5)104-78(132)56(27-13-18-38-91)106-66(119)45-103-77(131)64(44-53-23-9-8-10-24-53)116-83(137)61(32-34-69(122)123)107-67(120)46-102-76(130)63(43-49(2)3)115-82(136)58(29-15-20-40-93)111-80(134)57(28-14-19-39-92)112-84(138)62(33-35-70(124)125)114-81(135)60(31-22-42-100-88(97)98)110-74(128)54(94)25-11-16-36-89/h8-10,23-24,49-52,54-65,71,118H,7,11-22,25-48,89-94H2,1-6H3,(H,101,129)(H,102,130)(H,103,131)(H,104,132)(H,105,133)(H,106,119)(H,107,120)(H,108,121)(H,109,126)(H,110,128)(H,111,134)(H,112,138)(H,113,139)(H,114,135)(H,115,136)(H,116,137)(H,117,127)(H,122,123)(H,124,125)(H,140,141)(H4,95,96,99)(H4,97,98,100)/t50-,51-,52-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,71-/m0/s1

InChIKey

QTYZGUQHWJHVCA-XEFDJUAPSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2,6-diaminohexanoyl]amino]pentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 71597431