CID 16186603
Truncated peptide derived from cdr3 region of cd4-inducible antibody e51 fused to the fc region of human igg1
Structural Information
- Molecular Formula
- C79H95N15O46S6
- SMILES
- C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)OS(=O)(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)OS(=O)(=O)O)C(=O)N[C@@H](CC3=CC=C(C=C3)OS(=O)(=O)O)C(=O)N[C@@H](CC4=CC=C(C=C4)OS(=O)(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC5=CC=C(C=C5)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CN
- InChI
- InChI=1S/C79H95N15O46S6/c1-38(83-71(111)51(26-40-5-15-45(16-6-40)137-143(124,125)126)88-76(116)56(31-64(100)101)84-60(95)35-80)68(108)87-57(32-65(102)103)78(118)91-53(28-42-9-19-47(20-10-42)139-145(130,131)132)74(114)92-55(30-63(98)99)69(109)82-36-61(96)81-37-62(97)85-50(25-39-3-13-44(14-4-39)136-142(121,122)123)72(112)89-52(27-41-7-17-46(18-8-41)138-144(127,128)129)73(113)90-54(29-43-11-21-48(22-12-43)140-146(133,134)135)75(115)93-58(33-66(104)105)77(117)86-49(23-24-141-2)70(110)94-59(79(119)120)34-67(106)107/h3-22,38,49-59H,23-37,80H2,1-2H3,(H,81,96)(H,82,109)(H,83,111)(H,84,95)(H,85,97)(H,86,117)(H,87,108)(H,88,116)(H,89,112)(H,90,113)(H,91,118)(H,92,114)(H,93,115)(H,94,110)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,106,107)(H,119,120)(H,121,122,123)(H,124,125,126)(H,127,128,129)(H,130,131,132)(H,133,134,135)/t38-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1
- InChIKey
- RFXFOMQAIQGHBK-FCKBDNBQSA-N
- Compound name
- (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-carboxypropanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]acetyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]butanedioic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 2182.3953 | 398.5 |
[M+Na]+ | 2204.3772 | 388.3 |
[M-H]- | 2180.3807 | 408.8 |
[M+NH4]+ | 2199.4218 | 394.3 |
[M+K]+ | 2220.3512 | 385.2 |
[M+H-H2O]+ | 2164.3853 | 375.4 |
[M+HCOO]- | 2226.3862 | 391.1 |
[M+CH3COO]- | 2240.4019 | 389.2 |
[M+Na-2H]- | 2202.3627 | 424.3 |
[M]+ | 2181.3875 | 371.1 |
[M]- | 2181.3885 | 371.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.