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

BAXJFKMCANRDDN-DUCOGRLDSA-N

Compound name

(3S)-3-[[(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]-4-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(1S)-1-carboxyethyl]amino]-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 71591690