(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]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoic acid

Structural Information

Molecular Formula

C₈₇H₁₄₈N₂₆O₂₂S₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)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](CO)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/C87H148N26O22S2/c1-47(2)41-63(109-75(124)58(19-11-14-36-90)103-73(122)57(18-10-13-35-89)104-78(127)61(30-31-68(92)118)107-81(130)64(43-51-22-26-53(116)27-23-51)101-69(119)45-99-72(121)55(91)32-39-136-7)80(129)105-60(21-16-38-98-87(95)96)77(126)112-67(46-114)83(132)108-62(33-40-137-8)79(128)113-70(50(6)115)84(133)100-49(5)71(120)102-56(17-9-12-34-88)74(123)110-65(44-52-24-28-54(117)29-25-52)82(131)106-59(20-15-37-97-86(93)94)76(125)111-66(85(134)135)42-48(3)4/h22-29,47-50,55-67,70,114-117H,9-21,30-46,88-91H2,1-8H3,(H2,92,118)(H,99,121)(H,100,133)(H,101,119)(H,102,120)(H,103,122)(H,104,127)(H,105,129)(H,106,131)(H,107,130)(H,108,132)(H,109,124)(H,110,123)(H,111,125)(H,112,126)(H,113,128)(H,134,135)(H4,93,94,97)(H4,95,96,98)/t49-,50+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,70-/m0/s1

InChIKey

CETMRAQGDWEBGN-GRDUKDAPSA-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]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 71591686