Kvkftarrwgrqmksqpkrrkk

Structural Information

Molecular Formula

C₁₂₃H₂₁₄N₄₆O₂₇S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C123H214N46O27S/c1-68(2)96(167-99(176)74(130)32-11-17-50-124)115(192)161-80(37-15-21-54-128)107(184)164-89(63-71-29-7-6-8-30-71)112(189)168-97(70(4)171)116(193)150-69(3)98(175)152-81(40-24-57-144-120(135)136)103(180)157-84(43-27-60-147-123(141)142)108(185)165-90(64-72-65-148-75-33-10-9-31-73(72)75)100(177)149-66-95(174)151-76(39-23-56-143-119(133)134)101(178)158-85(45-47-93(131)172)110(187)159-86(49-62-197-5)111(188)154-78(35-13-19-52-126)109(186)166-91(67-170)113(190)162-87(46-48-94(132)173)117(194)169-61-28-44-92(169)114(191)160-79(36-14-20-53-127)102(179)155-83(42-26-59-146-122(139)140)105(182)156-82(41-25-58-145-121(137)138)104(181)153-77(34-12-18-51-125)106(183)163-88(118(195)196)38-16-22-55-129/h6-10,29-31,33,65,68-70,74,76-92,96-97,148,170-171H,11-28,32,34-64,66-67,124-130H2,1-5H3,(H2,131,172)(H2,132,173)(H,149,177)(H,150,193)(H,151,174)(H,152,175)(H,153,181)(H,154,188)(H,155,179)(H,156,182)(H,157,180)(H,158,178)(H,159,187)(H,160,191)(H,161,192)(H,162,190)(H,163,183)(H,164,184)(H,165,185)(H,166,186)(H,167,176)(H,168,189)(H,195,196)(H4,133,134,143)(H4,135,136,144)(H4,137,138,145)(H4,139,140,146)(H4,141,142,147)/t69-,70+,74-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,96-,97-/m0/s1

InChIKey

FMUNBMVKQCDFOF-IZORXGDXSA-N

Compound name

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoic acid

Related CIDs

• CID 71596280