5(rk)-tasp

Structural Information

Molecular Formula

C₁₀₇H₂₀₇N₄₅O₂₃S

SMILES

C1C[C@H](N(C1)C(=O)CNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N)C(=O)N[C@@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)N)C(=O)NCC(=O)N[C@@H](CS)C(=O)O

InChI

InChI=1S/C107H207N45O23S/c108-45-11-1-32-69(141-85(157)64(114)27-21-55-133-103(119)120)90(162)129-51-17-7-38-73(94(166)138-61-82(153)140-80(63-176)102(174)175)147-100(172)79(43-44-84(155)156)150-99(171)78(41-10-20-54-132-93(165)72(35-4-14-48-111)144-88(160)67(117)30-24-58-136-106(125)126)151-101(173)81-42-26-60-152(81)83(154)62-139-95(167)74(39-8-18-52-130-91(163)70(33-2-12-46-109)142-86(158)65(115)28-22-56-134-104(121)122)146-97(169)76(37-6-16-50-113)148-98(170)77(149-96(168)75(36-5-15-49-112)145-89(161)68(118)31-25-59-137-107(127)128)40-9-19-53-131-92(164)71(34-3-13-47-110)143-87(159)66(116)29-23-57-135-105(123)124/h64-81,176H,1-63,108-118H2,(H,129,162)(H,130,163)(H,131,164)(H,132,165)(H,138,166)(H,139,167)(H,140,153)(H,141,157)(H,142,158)(H,143,159)(H,144,160)(H,145,161)(H,146,169)(H,147,172)(H,148,170)(H,149,168)(H,150,171)(H,151,173)(H,155,156)(H,174,175)(H4,119,120,133)(H4,121,122,134)(H4,123,124,135)(H4,125,126,136)(H4,127,128,137)/t64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-/m0/s1

InChIKey

BPTSGXPCMWNQJK-FBRGWWCRSA-N

Compound name

(4S)-4-[[(2S)-6-[[(2S)-6-amino-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-2-[[(2S)-1-[2-[[(2S)-6-[[(2S)-6-amino-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-2-[[(2S)-6-amino-2-[[(2S)-2,6-bis[[(2S)-6-amino-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-5-[[(2S)-6-[[(2S)-6-amino-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-1-[[2-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130739