CID 5481572
Asvncaki
Structural Information
- Molecular Formula
- C33H60N10O11S
- SMILES
- CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C)N
- InChI
- InChI=1S/C33H60N10O11S/c1-7-16(4)25(33(53)54)43-28(48)19(10-8-9-11-34)38-27(47)18(6)37-31(51)22(14-55)41-29(49)20(12-23(36)45)39-32(52)24(15(2)3)42-30(50)21(13-44)40-26(46)17(5)35/h15-22,24-25,44,55H,7-14,34-35H2,1-6H3,(H2,36,45)(H,37,51)(H,38,47)(H,39,52)(H,40,46)(H,41,49)(H,42,50)(H,43,48)(H,53,54)/t16-,17-,18-,19-,20-,21-,22-,24-,25-/m0/s1
- InChIKey
- PQVZOQNOOAIVKI-FRIHZRBLSA-N
- Compound name
- (2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 805.42368 | 279.2 |
[M+Na]+ | 827.40562 | 273.4 |
[M-H]- | 803.40912 | 285.3 |
[M+NH4]+ | 822.45022 | 281.2 |
[M+K]+ | 843.37956 | 272.6 |
[M+H-H2O]+ | 787.41366 | 258.6 |
[M+HCOO]- | 849.41460 | 281.1 |
[M+CH3COO]- | 863.43025 | 283.3 |
[M+Na-2H]- | 825.39107 | 323.1 |
[M]+ | 804.41585 | 319.9 |
[M]- | 804.41695 | 319.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.