CID 16186488
Kkkkvllaflfff
Structural Information
- Molecular Formula
- C86H133N17O14
- SMILES
- C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N
- InChI
- InChI=1S/C86H133N17O14/c1-53(2)46-66(97-81(111)68(48-55(5)6)101-85(115)73(56(7)8)103-78(108)65(41-25-29-45-90)95-77(107)64(40-24-28-44-89)94-76(106)63(39-23-27-43-88)93-75(105)62(91)38-22-26-42-87)79(109)92-57(9)74(104)96-69(49-58-30-14-10-15-31-58)82(112)98-67(47-54(3)4)80(110)99-70(50-59-32-16-11-17-33-59)83(113)100-71(51-60-34-18-12-19-35-60)84(114)102-72(86(116)117)52-61-36-20-13-21-37-61/h10-21,30-37,53-57,62-73H,22-29,38-52,87-91H2,1-9H3,(H,92,109)(H,93,105)(H,94,106)(H,95,107)(H,96,104)(H,97,111)(H,98,112)(H,99,110)(H,100,113)(H,101,115)(H,102,114)(H,103,108)(H,116,117)/t57-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-/m0/s1
- InChIKey
- OMVKJSIYFHPEEV-FJQHRURTSA-N
- Compound name
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1629.0292 | 396.9 |
[M+Na]+ | 1651.0111 | 383.7 |
[M-H]- | 1627.0146 | 406.8 |
[M+NH4]+ | 1646.0557 | 394.4 |
[M+K]+ | 1666.9851 | 383.5 |
[M+H-H2O]+ | 1611.0192 | 364.4 |
[M+HCOO]- | 1673.0201 | 390.7 |
[M+CH3COO]- | 1687.0358 | 389.2 |
[M+Na-2H]- | 1648.9966 | 444.5 |
[M]+ | 1628.0214 | 411.6 |
[M]- | 1628.0224 | 411.6 |
Literature stripe
Patent stripe
No patent data available for this compound.