CID 462264
Peptide 7194
Structural Information
- Molecular Formula
- C44H58N4O9
- SMILES
- CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)OC(=O)C1CCN(CC1)C(=O)[C@@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)OCC(C)C
- InChI
- InChI=1S/C44H58N4O9/c1-27(2)22-37(40(50)47-38(29(5)6)42(52)53)57-43(54)33-18-20-48(21-19-33)41(51)36(25-31-16-17-32-14-10-11-15-34(32)23-31)45-39(49)35(24-30-12-8-7-9-13-30)46-44(55)56-26-28(3)4/h7-17,23,27-29,33,35-38H,18-22,24-26H2,1-6H3,(H,45,49)(H,46,55)(H,47,50)(H,52,53)/t35-,36+,37-,38-/m0/s1
- InChIKey
- XFRDRCQWWIIAHK-NAQJMGRXSA-N
- Compound name
- (2S)-3-methyl-2-[[(2S)-4-methyl-2-[1-[(2R)-2-[[(2S)-2-(2-methylpropoxycarbonylamino)-3-phenylpropanoyl]amino]-3-naphthalen-2-ylpropanoyl]piperidine-4-carbonyl]oxypentanoyl]amino]butanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 787.42763 | 271.5 |
[M+Na]+ | 809.40957 | 273.7 |
[M-H]- | 785.41307 | 275.8 |
[M+NH4]+ | 804.45417 | 274.8 |
[M+K]+ | 825.38351 | 262.0 |
[M+H-H2O]+ | 769.41761 | 248.4 |
[M+HCOO]- | 831.41855 | 275.6 |
[M+CH3COO]- | 845.43420 | 302.9 |
[M+Na-2H]- | 807.39502 | 301.1 |
[M]+ | 786.41980 | 312.6 |
[M]- | 786.42090 | 312.6 |