CID 102515339
3-hydroxy-4-methyl-anthranilate pentapeptide lactone
Structural Information
- Molecular Formula
- C31H46N6O8
- SMILES
- C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C(C(=C(C=C3)C)O)N
- InChI
- InChI=1S/C31H46N6O8/c1-15(2)23-30(43)37-13-9-10-20(37)29(42)35(7)14-21(38)36(8)25(16(3)4)31(44)45-18(6)24(28(41)33-23)34-27(40)19-12-11-17(5)26(39)22(19)32/h11-12,15-16,18,20,23-25,39H,9-10,13-14,32H2,1-8H3,(H,33,41)(H,34,40)/t18-,20+,23-,24+,25+/m1/s1
- InChIKey
- IDANITFECICAJB-MPKZYAHHSA-N
- Compound name
- 2-amino-3-hydroxy-4-methyl-N-[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]benzamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 631.34498 | 264.2 |
[M+Na]+ | 653.32692 | 267.8 |
[M-H]- | 629.33042 | 256.5 |
[M+NH4]+ | 648.37152 | 262.9 |
[M+K]+ | 669.30086 | 251.7 |
[M+H-H2O]+ | 613.33496 | 240.2 |
[M+HCOO]- | 675.33590 | 264.0 |
[M+CH3COO]- | 689.35155 | 272.3 |
[M+Na-2H]- | 651.31237 | 273.8 |
[M]+ | 630.33715 | 274.8 |
[M]- | 630.33825 | 274.8 |
Literature stripe
Patent stripe
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