Ntrksitigpgrafyatgdi

Structural Information

Molecular Formula

C₉₂H₁₄₈N₂₈O₂₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](CCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C92H148N28O29/c1-12-43(4)68(115-89(147)73(50(11)124)119-87(145)69(44(5)13-2)114-83(141)61(42-121)113-78(136)55(23-18-19-31-93)109-79(137)57(30-33-101-92(98)99)110-88(146)72(49(10)123)118-76(134)54(94)37-63(95)126)85(143)104-41-66(129)120-34-20-24-62(120)84(142)102-39-64(127)107-56(29-32-100-91(96)97)77(135)105-46(7)74(132)111-59(35-51-21-16-15-17-22-51)81(139)112-58(36-52-25-27-53(125)28-26-52)80(138)106-47(8)75(133)117-71(48(9)122)86(144)103-40-65(128)108-60(38-67(130)131)82(140)116-70(90(148)149)45(6)14-3/h15-17,21-22,25-28,43-50,54-62,68-73,121-125H,12-14,18-20,23-24,29-42,93-94H2,1-11H3,(H2,95,126)(H,102,142)(H,103,144)(H,104,143)(H,105,135)(H,106,138)(H,107,127)(H,108,128)(H,109,137)(H,110,146)(H,111,132)(H,112,139)(H,113,136)(H,114,141)(H,115,147)(H,116,140)(H,117,133)(H,118,134)(H,119,145)(H,130,131)(H,148,149)(H4,96,97,100)(H4,98,99,101)/t43-,44-,45-,46-,47-,48+,49+,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,68-,69-,70-,71-,72-,73-/m0/s1

InChIKey

KQTAYGRUKZIBDZ-CSFJADJESA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-carbamimidamido-2-[[(2S,3R)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]butanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-4-carbamimidamidobutanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16186429