(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-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]propanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoic acid

Structural Information

Molecular Formula

C₈₇H₁₄₆N₂₆O₂₃S₂

SMILES

C[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](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

InChI

InChI=1S/C87H146N26O23S2/c1-47(2)40-62(110-75(125)56(17-9-12-34-89)102-74(124)55(16-8-11-33-88)103-79(129)60(29-30-68(92)117)107-81(131)63(42-50-21-25-52(115)26-22-50)101-69(118)45-99-72(122)54(91)31-38-137-6)80(130)105-59(20-15-37-98-87(95)96)78(128)113-67(46-114)84(134)108-61(32-39-138-7)73(123)100-49(5)71(121)109-65(44-70(119)120)83(133)104-57(18-10-13-35-90)76(126)111-64(43-51-23-27-53(116)28-24-51)82(132)106-58(19-14-36-97-86(93)94)77(127)112-66(85(135)136)41-48(3)4/h21-28,47-49,54-67,114-116H,8-20,29-46,88-91H2,1-7H3,(H2,92,117)(H,99,122)(H,100,123)(H,101,118)(H,102,124)(H,103,129)(H,104,133)(H,105,130)(H,106,132)(H,107,131)(H,108,134)(H,109,121)(H,110,125)(H,111,126)(H,112,127)(H,113,128)(H,119,120)(H,135,136)(H4,93,94,97)(H4,95,96,98)/t49-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-/m0/s1

InChIKey

HDTFEVCRNGVBLT-WACQHSGUSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-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]propanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 71591685