CID 16197746
Arraarrarraarrarraarr
Structural Information
- Molecular Formula
- C99H191N57O22
- SMILES
- C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)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](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)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](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N
- InChI
- InChI=1S/C99H191N57O22/c1-46(100)67(157)145-60(27-15-39-130-93(111)112)81(171)151-55(22-10-34-125-88(101)102)76(166)140-47(2)68(158)137-50(5)71(161)146-61(28-16-40-131-94(113)114)82(172)154-58(25-13-37-128-91(107)108)79(169)143-53(8)74(164)148-63(30-18-42-133-96(117)118)84(174)152-56(23-11-35-126-89(103)104)77(167)141-48(3)69(159)138-51(6)72(162)147-62(29-17-41-132-95(115)116)83(173)155-59(26-14-38-129-92(109)110)80(170)144-54(9)75(165)149-64(31-19-43-134-97(119)120)85(175)153-57(24-12-36-127-90(105)106)78(168)142-49(4)70(160)139-52(7)73(163)150-65(32-20-44-135-98(121)122)86(176)156-66(87(177)178)33-21-45-136-99(123)124/h46-66H,10-45,100H2,1-9H3,(H,137,158)(H,138,159)(H,139,160)(H,140,166)(H,141,167)(H,142,168)(H,143,169)(H,144,170)(H,145,157)(H,146,161)(H,147,162)(H,148,164)(H,149,165)(H,150,163)(H,151,171)(H,152,174)(H,153,175)(H,154,172)(H,155,173)(H,156,176)(H,177,178)(H4,101,102,125)(H4,103,104,126)(H4,105,106,127)(H4,107,108,128)(H4,109,110,129)(H4,111,112,130)(H4,113,114,131)(H4,115,116,132)(H4,117,118,133)(H4,119,120,134)(H4,121,122,135)(H4,123,124,136)/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1
- InChIKey
- NTJFSLPYVJYIQR-QSDYBNMTSA-N
- Compound name
- (2S)-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-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 2531.5652 | 386.6 |
[M+Na]+ | 2553.5471 | 377.4 |
[M-H]- | 2529.5506 | 383.6 |
[M+NH4]+ | 2548.5917 | 379.2 |
[M+K]+ | 2569.5211 | 376.0 |
[M+H-H2O]+ | 2513.5552 | 378.5 |
[M+HCOO]- | 2575.5561 | 375.2 |
[M+CH3COO]- | 2589.5718 | 372.4 |
[M+Na-2H]- | 2551.5326 | 379.2 |
[M]+ | 2530.5574 | 353.3 |
[M]- | 2530.5584 | 353.3 |
Literature stripe
Patent stripe
No patent data available for this compound.