(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]propanoyl]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

C₈₅H₁₄₂N₂₆O₂₄S₂

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](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/C85H142N26O24S2/c1-45(2)39-63(83(134)135)109-74(125)57(19-14-36-96-85(93)94)104-79(130)61(41-49-22-26-51(115)27-23-49)107-73(124)55(17-9-12-34-88)103-80(131)62(42-67(118)119)108-82(133)68(47(4)113)111-77(128)59(31-38-137-6)106-81(132)64(44-112)110-75(126)56(18-13-35-95-84(91)92)100-69(120)46(3)98-71(122)53(15-7-10-32-86)101-72(123)54(16-8-11-33-87)102-76(127)58(28-29-65(90)116)105-78(129)60(40-48-20-24-50(114)25-21-48)99-66(117)43-97-70(121)52(89)30-37-136-5/h20-27,45-47,52-64,68,112-115H,7-19,28-44,86-89H2,1-6H3,(H2,90,116)(H,97,121)(H,98,122)(H,99,117)(H,100,120)(H,101,123)(H,102,127)(H,103,131)(H,104,130)(H,105,129)(H,106,132)(H,107,124)(H,108,133)(H,109,125)(H,110,126)(H,111,128)(H,118,119)(H,134,135)(H4,91,92,95)(H4,93,94,96)/t46-,47+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,68-/m0/s1

InChIKey

QSPQSVFQMGCMOE-DUCOGRLDSA-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]propanoyl]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 71591680