(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]propanoyl]amino]-3-hydroxypropanoyl]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

C₈₅H₁₄₁N₂₃O₂₄S₂

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](CO)NC(=O)[C@H](C)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/C85H141N23O24S2/c1-45(2)38-60(103-73(120)55(17-10-13-33-87)97-72(119)54(16-9-12-32-86)98-76(123)58(28-29-66(90)113)101-79(126)61(40-49-20-24-51(111)25-21-49)96-67(114)43-94-71(118)53(89)30-36-133-7)78(125)95-47(5)70(117)107-65(44-109)82(129)102-59(31-37-134-8)77(124)108-69(48(6)110)83(130)105-63(42-68(115)116)81(128)99-56(18-11-14-34-88)74(121)104-62(41-50-22-26-52(112)27-23-50)80(127)100-57(19-15-35-93-85(91)92)75(122)106-64(84(131)132)39-46(3)4/h20-27,45-48,53-65,69,109-112H,9-19,28-44,86-89H2,1-8H3,(H2,90,113)(H,94,118)(H,95,125)(H,96,114)(H,97,119)(H,98,123)(H,99,128)(H,100,127)(H,101,126)(H,102,129)(H,103,120)(H,104,121)(H,105,130)(H,106,122)(H,107,117)(H,108,124)(H,115,116)(H,131,132)(H4,91,92,93)/t47-,48+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,69-/m0/s1

InChIKey

BHAYFZLDUIISLX-JGSDTNOUSA-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]propanoyl]amino]-3-hydroxypropanoyl]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 71591681