Lldcwvrlgryllrrlk

Structural Information

Molecular Formula

C₁₀₀H₁₆₉N₃₁O₂₁S

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)N

InChI

InChI=1S/C100H169N31O21S/c1-51(2)39-62(102)81(136)122-70(41-53(5)6)89(144)129-76(47-79(134)135)92(147)130-77(50-153)94(149)128-75(46-59-48-115-63-24-16-15-23-61(59)63)93(148)131-80(57(13)14)95(150)120-67(29-22-38-114-100(109)110)86(141)123-69(40-52(3)4)82(137)116-49-78(133)117-64(26-19-35-111-97(103)104)83(138)127-74(45-58-30-32-60(132)33-31-58)91(146)126-73(44-56(11)12)90(145)125-71(42-54(7)8)87(142)119-65(27-20-36-112-98(105)106)84(139)118-66(28-21-37-113-99(107)108)85(140)124-72(43-55(9)10)88(143)121-68(96(151)152)25-17-18-34-101/h15-16,23-24,30-33,48,51-57,62,64-77,80,115,132,153H,17-22,25-29,34-47,49-50,101-102H2,1-14H3,(H,116,137)(H,117,133)(H,118,139)(H,119,142)(H,120,150)(H,121,143)(H,122,136)(H,123,141)(H,124,140)(H,125,145)(H,126,146)(H,127,138)(H,128,149)(H,129,144)(H,130,147)(H,131,148)(H,134,135)(H,151,152)(H4,103,104,111)(H4,105,106,112)(H4,107,108,113)(H4,109,110,114)/t62-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,80-/m0/s1

InChIKey

ZKCULEMYRJOIKQ-CZCQWHIZSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]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]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid

Related CIDs

• CID 71597217