(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)-2-[[(2s)-2-[[2-[[(2s)-2-amino-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]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

C₈₆H₁₄₅N₂₅O₂₃S₂

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

InChI

InChI=1S/C86H145N25O23S2/c1-46(2)39-61(106-73(122)56(18-10-13-33-88)101-72(121)55(17-9-12-32-87)100-70(119)48(5)98-78(127)62(41-50-22-26-52(114)27-23-50)99-67(116)44-97-71(120)54(90)30-37-135-7)79(128)103-59(21-16-36-96-86(93)94)76(125)110-66(45-112)82(131)105-60(31-38-136-8)77(126)111-69(49(6)113)83(132)108-64(43-68(117)118)81(130)102-57(19-11-14-34-89)74(123)107-63(42-51-24-28-53(115)29-25-51)80(129)104-58(20-15-35-95-85(91)92)75(124)109-65(84(133)134)40-47(3)4/h22-29,46-49,54-66,69,112-115H,9-21,30-45,87-90H2,1-8H3,(H,97,120)(H,98,127)(H,99,116)(H,100,119)(H,101,121)(H,102,130)(H,103,128)(H,104,129)(H,105,131)(H,106,122)(H,107,123)(H,108,132)(H,109,124)(H,110,125)(H,111,126)(H,117,118)(H,133,134)(H4,91,92,95)(H4,93,94,96)/t48-,49+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,69-/m0/s1

InChIKey

CRDYRAULTSYFDX-CYUHIPHMSA-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)-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]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 71591677