Cwvrlgryilrriktpft

Structural Information

Molecular Formula

C₁₀₆H₁₇₂N₃₂O₂₂S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CS)N

InChI

InChI=1S/C106H172N32O22S/c1-13-58(9)82(99(156)127-70(31-20-21-41-107)92(149)136-84(60(11)139)101(158)138-46-26-36-79(138)97(154)131-77(49-62-27-16-15-17-28-62)95(152)137-85(61(12)140)102(159)160)134-91(148)73(35-25-45-120-106(115)116)124-89(146)71(33-23-43-118-104(111)112)125-93(150)75(48-56(5)6)132-100(157)83(59(10)14-2)135-94(151)76(50-63-37-39-65(141)40-38-63)130-88(145)69(32-22-42-117-103(109)110)123-80(142)53-122-87(144)74(47-55(3)4)129-90(147)72(34-24-44-119-105(113)114)126-98(155)81(57(7)8)133-96(153)78(128-86(143)67(108)54-161)51-64-52-121-68-30-19-18-29-66(64)68/h15-19,27-30,37-40,52,55-61,67,69-79,81-85,121,139-141,161H,13-14,20-26,31-36,41-51,53-54,107-108H2,1-12H3,(H,122,144)(H,123,142)(H,124,146)(H,125,150)(H,126,155)(H,127,156)(H,128,143)(H,129,147)(H,130,145)(H,131,154)(H,132,157)(H,133,153)(H,134,148)(H,135,151)(H,136,149)(H,137,152)(H,159,160)(H4,109,110,117)(H4,111,112,118)(H4,113,114,119)(H4,115,116,120)/t58-,59-,60+,61+,67-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,81-,82-,83-,84-,85-/m0/s1

InChIKey

HESFXEGPXFKROR-GMTQEWRKSA-N

Compound name

(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoic acid

Related CIDs

• CID 71596590