CID 5481568
Sqnyaivq
Structural Information
- Molecular Formula
- C40H63N11O14
- SMILES
- CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)N
- InChI
- InChI=1S/C40H63N11O14/c1-6-19(4)32(39(63)50-31(18(2)3)38(62)47-25(40(64)65)12-14-29(43)55)51-33(57)20(5)45-36(60)26(15-21-7-9-22(53)10-8-21)48-37(61)27(16-30(44)56)49-35(59)24(11-13-28(42)54)46-34(58)23(41)17-52/h7-10,18-20,23-27,31-32,52-53H,6,11-17,41H2,1-5H3,(H2,42,54)(H2,43,55)(H2,44,56)(H,45,60)(H,46,58)(H,47,62)(H,48,61)(H,49,59)(H,50,63)(H,51,57)(H,64,65)/t19-,20-,23-,24-,25-,26-,27-,31-,32-/m0/s1
- InChIKey
- YWVCYLDPXRXMPQ-HEVYHNHMSA-N
- Compound name
- (2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 922.46285 | 298.8 |
[M+Na]+ | 944.44479 | 289.0 |
[M-H]- | 920.44829 | 306.0 |
[M+NH4]+ | 939.48939 | 299.0 |
[M+K]+ | 960.41873 | 290.0 |
[M+H-H2O]+ | 904.45283 | 274.2 |
[M+HCOO]- | 966.45377 | 298.4 |
[M+CH3COO]- | 980.46942 | 300.0 |
[M+Na-2H]- | 942.43024 | 343.6 |
[M]+ | 921.45502 | 329.9 |
[M]- | 921.45612 | 329.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.