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

Structural Information

Molecular Formula

C₈₅H₁₄₁N₂₅O₂₄S₂

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)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/C85H141N25O24S2/c1-44(2)37-59(106-72(122)54(16-10-12-32-87)99-71(121)53(15-9-11-31-86)100-75(125)57(27-28-65(89)115)103-79(129)60(39-48-19-23-50(113)24-20-48)98-66(116)42-96-70(120)52(88)29-35-135-7)78(128)101-56(18-14-34-95-85(92)93)74(124)109-64(43-111)81(131)104-58(30-36-136-8)76(126)110-68(47(6)112)82(132)107-62(41-67(117)118)77(127)97-46(5)69(119)105-61(40-49-21-25-51(114)26-22-49)80(130)102-55(17-13-33-94-84(90)91)73(123)108-63(83(133)134)38-45(3)4/h19-26,44-47,52-64,68,111-114H,9-18,27-43,86-88H2,1-8H3,(H2,89,115)(H,96,120)(H,97,127)(H,98,116)(H,99,121)(H,100,125)(H,101,128)(H,102,130)(H,103,129)(H,104,131)(H,105,119)(H,106,122)(H,107,132)(H,108,123)(H,109,124)(H,110,126)(H,117,118)(H,133,134)(H4,90,91,94)(H4,92,93,95)/t46-,47+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,68-/m0/s1

InChIKey

JIHQWVYNXHHAGL-DUCOGRLDSA-N

Compound name

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

Related CIDs

• CID 71591687