CID 464779
[(1s,2s)-1-benzyl-2-hydroxy-3-(n-(4-hydroxy-benzyl)-n'-{(r)-2-[3-(2-isopropyl-thiazol-4-ylmethyl)-3-methyl-ureido]-3-methyl-butanoyl}-hydrazino)-propyl]-carbamic acid thiazol-5-ylmethyl ester
Structural Information
- Molecular Formula
- C36H47N7O6S2
- SMILES
- CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@H](C(C)C)C(=O)NN(CC2=CC=C(C=C2)O)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
- InChI
- InChI=1S/C36H47N7O6S2/c1-23(2)32(40-35(47)42(5)18-27-21-50-34(38-27)24(3)4)33(46)41-43(17-26-11-13-28(44)14-12-26)19-31(45)30(15-25-9-7-6-8-10-25)39-36(48)49-20-29-16-37-22-51-29/h6-14,16,21-24,30-32,44-45H,15,17-20H2,1-5H3,(H,39,48)(H,40,47)(H,41,46)/t30-,31-,32+/m0/s1
- InChIKey
- KZUXUIQZZFLKPS-OWHBQTKESA-N
- Compound name
- 1,3-thiazol-5-ylmethyl N-[(2S,3S)-3-hydroxy-4-[(4-hydroxyphenyl)methyl-[[(2R)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]amino]-1-phenylbutan-2-yl]carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 738.31018 | 262.9 |
[M+Na]+ | 760.29212 | 255.8 |
[M-H]- | 736.29562 | 271.4 |
[M+NH4]+ | 755.33672 | 258.6 |
[M+K]+ | 776.26606 | 256.6 |
[M+H-H2O]+ | 720.30016 | 253.5 |
[M+HCOO]- | 782.30110 | 269.6 |
[M+CH3COO]- | 796.31675 | 289.8 |
[M+Na-2H]- | 758.27757 | 288.0 |
[M]+ | 737.30235 | 269.4 |
[M]- | 737.30345 | 269.4 |
Literature stripe
Patent stripe
No patent data available for this compound.