(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-5-carbamimidamido-2-[[(2s)-5-carbamimidamido-2-[[2-[[(2s)-4-carboxy-2-[[(2s)-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-2-[[(2s)-4-carboxy-2-[[(2s)-4-carboxy-2-[[(2s)-1-[2-[[(2s)-2-[[(2s,3s)-3-methyl-2-[[(2s)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]butanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]acetyl]amino]pentanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid

Structural Information

Molecular Formula

C₈₉H₁₄₆N₂₄O₂₇

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@@H]3CCCN3

InChI

InChI=1S/C89H146N24O27/c1-14-47(11)69(110-74(126)51-25-19-35-94-51)85(137)104-57(39-50-23-17-16-18-24-50)73(125)98-41-61(117)113-38-22-28-59(113)80(132)102-55(30-33-63(120)121)76(128)101-56(31-34-64(122)123)78(130)107-67(45(7)8)84(136)112-71(49(13)115)86(138)105-58(42-114)79(131)108-65(43(3)4)81(133)103-54(29-32-62(118)119)72(124)97-40-60(116)99-52(26-20-36-95-88(90)91)75(127)100-53(27-21-37-96-89(92)93)77(129)106-66(44(5)6)82(134)109-68(46(9)10)83(135)111-70(87(139)140)48(12)15-2/h16-18,23-24,43-49,51-59,65-71,94,114-115H,14-15,19-22,25-42H2,1-13H3,(H,97,124)(H,98,125)(H,99,116)(H,100,127)(H,101,128)(H,102,132)(H,103,133)(H,104,137)(H,105,138)(H,106,129)(H,107,130)(H,108,131)(H,109,134)(H,110,126)(H,111,135)(H,112,136)(H,118,119)(H,120,121)(H,122,123)(H,139,140)(H4,90,91,95)(H4,92,93,96)/t47-,48-,49+,51-,52-,53-,54-,55-,56-,57-,58-,59-,65-,66-,67-,68-,69-,70-,71-/m0/s1

InChIKey

RPOVEJRVFJQZSO-ONKNRXDLSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-[[2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-1-[2-[[(2S)-2-[[(2S,3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]butanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]butanoyl]amino]acetyl]amino]pentanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16132002