CID 179978
Lissoclinamide 5
Structural Information
- Molecular Formula
- C38H41N7O5S2
- SMILES
- C[C@@H]1[C@H]2C(=O)N[C@H](C3=NC(=CS3)C(=O)N[C@@H](C4=NC(=CS4)C(=O)N[C@H](C(=O)N5CCC[C@H]5C(=N2)O1)CC6=CC=CC=C6)CC7=CC=CC=C7)C(C)C
- InChI
- InChI=1S/C38H41N7O5S2/c1-21(2)30-37-42-28(20-52-37)32(46)39-25(17-23-11-6-4-7-12-23)36-41-27(19-51-36)33(47)40-26(18-24-13-8-5-9-14-24)38(49)45-16-10-15-29(45)35-44-31(22(3)50-35)34(48)43-30/h4-9,11-14,19-22,25-26,29-31H,10,15-18H2,1-3H3,(H,39,46)(H,40,47)(H,43,48)/t22-,25-,26+,29+,30+,31+/m1/s1
- InChIKey
- XWRRCRXUEXAWCD-ILHVVAMWSA-N
- Compound name
- (2S,8S,15R,22S,25S,26R)-8,15-dibenzyl-26-methyl-22-propan-2-yl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),11,14(30),18,21(29)-pentaene-7,10,17,24-tetrone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 740.26833 | 237.1 |
[M+Na]+ | 762.25027 | 242.6 |
[M-H]- | 738.25377 | 239.7 |
[M+NH4]+ | 757.29487 | 234.5 |
[M+K]+ | 778.22421 | 241.2 |
[M+H-H2O]+ | 722.25831 | 241.4 |
[M+HCOO]- | 784.25925 | 229.7 |
[M+CH3COO]- | 798.27490 | 238.7 |
[M+Na-2H]- | 760.23572 | 226.4 |
[M]+ | 739.26050 | 239.5 |
[M]- | 739.26160 | 239.5 |