(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-6-amino-2-[[(2s)-5-amino-2-[[(2s)-2-[[2-[[(2s)-2-amino-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoic acid

Structural Information

Molecular Formula

C₈₈H₁₄₈N₂₆O₂₃S₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)CNC(=O)[C@H](CCSC)N)O

InChI

InChI=1S/C88H148N26O23S2/c1-47(2)41-63(110-76(126)57(18-10-13-35-90)104-75(125)56(17-9-12-34-89)105-79(129)61(30-31-68(93)118)109-82(132)64(43-51-22-26-53(116)27-23-51)102-69(119)46-100-73(123)55(92)32-39-138-7)81(131)107-59(20-15-37-98-87(94)95)74(124)101-49(5)72(122)103-62(33-40-139-8)80(130)114-71(50(6)115)85(135)112-66(45-70(120)121)84(134)106-58(19-11-14-36-91)77(127)111-65(44-52-24-28-54(117)29-25-52)83(133)108-60(21-16-38-99-88(96)97)78(128)113-67(86(136)137)42-48(3)4/h22-29,47-50,55-67,71,115-117H,9-21,30-46,89-92H2,1-8H3,(H2,93,118)(H,100,123)(H,101,124)(H,102,119)(H,103,122)(H,104,125)(H,105,129)(H,106,134)(H,107,131)(H,108,133)(H,109,132)(H,110,126)(H,111,127)(H,112,135)(H,113,128)(H,114,130)(H,120,121)(H,136,137)(H4,94,95,98)(H4,96,97,99)/t49-,50+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,71-/m0/s1

InChIKey

YQRXYWLKUPPPBE-ZJHFBVRLSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 71591682