Cwvrlaryllrrlktpft

Structural Information

Molecular Formula

C₁₀₇H₁₇₄N₃₂O₂₂S

SMILES

C[C@H]([C@@H](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](CCCCN)NC(=O)[C@H](CC(C)C)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](CC(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=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)O

InChI

InChI=1S/C107H174N32O22S/c1-55(2)46-75(130-91(148)74(34-24-44-121-107(116)117)128-101(158)83(59(9)10)136-99(156)81(129-87(144)68(109)54-162)52-65-53-122-69-29-18-17-28-67(65)69)93(150)123-60(11)86(143)124-71(31-21-41-118-104(110)111)89(146)134-79(51-64-36-38-66(142)39-37-64)97(154)133-78(49-58(7)8)96(153)132-77(48-57(5)6)95(152)127-72(32-22-42-119-105(112)113)88(145)125-73(33-23-43-120-106(114)115)90(147)131-76(47-56(3)4)94(151)126-70(30-19-20-40-108)92(149)137-84(61(12)140)102(159)139-45-25-35-82(139)100(157)135-80(50-63-26-15-14-16-27-63)98(155)138-85(62(13)141)103(160)161/h14-18,26-29,36-39,53,55-62,68,70-85,122,140-142,162H,19-25,30-35,40-52,54,108-109H2,1-13H3,(H,123,150)(H,124,143)(H,125,145)(H,126,151)(H,127,152)(H,128,158)(H,129,144)(H,130,148)(H,131,147)(H,132,153)(H,133,154)(H,134,146)(H,135,157)(H,136,156)(H,137,149)(H,138,155)(H,160,161)(H4,110,111,118)(H4,112,113,119)(H4,114,115,120)(H4,116,117,121)/t60-,61+,62+,68-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-/m0/s1

InChIKey

QCRJSIYIKOAVGJ-NIGHPNJUSA-N

Compound name

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

Related CIDs

• CID 71597464