CID 476713
Sqnspivq
Structural Information
- Molecular Formula
- C36H61N11O14
- 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]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)N
- InChI
- InChI=1S/C36H61N11O14/c1-5-17(4)28(34(58)45-27(16(2)3)33(57)42-20(36(60)61)9-11-25(39)51)46-32(56)23-7-6-12-47(23)35(59)22(15-49)44-31(55)21(13-26(40)52)43-30(54)19(8-10-24(38)50)41-29(53)18(37)14-48/h16-23,27-28,48-49H,5-15,37H2,1-4H3,(H2,38,50)(H2,39,51)(H2,40,52)(H,41,53)(H,42,57)(H,43,54)(H,44,55)(H,45,58)(H,46,56)(H,60,61)/t17-,18-,19-,20-,21-,22-,23-,27-,28-/m0/s1
- InChIKey
- NEJYROMOZNYEKX-NMENVCETSA-N
- Compound name
- (2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]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]+ | 872.44722 | 285.9 |
[M+Na]+ | 894.42916 | 275.5 |
[M-H]- | 870.43266 | 291.0 |
[M+NH4]+ | 889.47376 | 285.4 |
[M+K]+ | 910.40310 | 279.5 |
[M+H-H2O]+ | 854.43720 | 261.7 |
[M+HCOO]- | 916.43814 | 285.1 |
[M+CH3COO]- | 930.45379 | 287.1 |
[M+Na-2H]- | 892.41461 | 324.6 |
[M]+ | 871.43939 | 313.6 |
[M]- | 871.44049 | 313.6 |
Literature stripe
Patent stripe
No patent data available for this compound.