CID 25084008
Arg-gly-gly-ser-val-val-ile-val-gly-arg-ile-ile-leu-ser-gly-arg-lys
Structural Information
- Molecular Formula
- C77H143N27O20
- SMILES
- CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)CNC(=O)[C@H](CCCN=C(N)N)N
- InChI
- InChI=1S/C77H143N27O20/c1-15-42(12)59(71(120)97-49(31-38(4)5)66(115)98-50(36-105)63(112)91-34-54(109)93-46(25-21-29-87-76(82)83)64(113)96-48(74(123)124)24-18-19-27-78)104-73(122)60(43(13)16-2)102-65(114)47(26-22-30-88-77(84)85)94-55(110)35-92-68(117)56(39(6)7)100-72(121)61(44(14)17-3)103-70(119)58(41(10)11)101-69(118)57(40(8)9)99-67(116)51(37-106)95-53(108)33-89-52(107)32-90-62(111)45(79)23-20-28-86-75(80)81/h38-51,56-61,105-106H,15-37,78-79H2,1-14H3,(H,89,107)(H,90,111)(H,91,112)(H,92,117)(H,93,109)(H,94,110)(H,95,108)(H,96,113)(H,97,120)(H,98,115)(H,99,116)(H,100,121)(H,101,118)(H,102,114)(H,103,119)(H,104,122)(H,123,124)(H4,80,81,86)(H4,82,83,87)(H4,84,85,88)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,56-,57-,58-,59-,60-,61-/m0/s1
- InChIKey
- RKXHVFJDZIRKBP-UKWUQUOFSA-N
- Compound name
- (2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1767.1075 | 399.3 |
[M+Na]+ | 1789.0894 | 374.3 |
[M-H]- | 1765.0929 | 401.1 |
[M+NH4]+ | 1784.1340 | 387.1 |
[M+K]+ | 1805.0634 | 378.8 |
[M+H-H2O]+ | 1749.0975 | 370.2 |
[M+HCOO]- | 1811.0984 | 382.6 |
[M+CH3COO]- | 1825.1141 | 380.3 |
[M+Na-2H]- | 1787.0749 | 428.1 |
[M]+ | 1766.0997 | 349.1 |
[M]- | 1766.1007 | 349.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.