LZI
Summary
| Name: | (4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide |
| Formula: | C27 H27 Cl F N5 O4 S |
| Formal charge: | 0 |
| Formula weight: | 572.051 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide |
| OpenEye OEToolkits | 1.5.0 | (1R,2S,4R)-4-[(5-chlorothiophen-2-yl)carbonylamino]-N-(cyclopropylmethyl)-1-[2-[[2-fluoro-4-(2-oxopyridin-1-yl)phenyl]amino]-2-oxo-ethyl]pyrrolidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC4CC(C(=O)NCC1CC1)N(CC(=O)Nc3ccc(N2C=CC=CC2=O)cc3F)C4)c5sc(Cl)cc5 |
| SMILES_CANONICAL | CACTVS | 3.341 | Fc1cc(ccc1NC(=O)CN2C[C@@H](C[C@H]2C(=O)NCC3CC3)NC(=O)c4sc(Cl)cc4)N5C=CC=CC5=O |
| SMILES | CACTVS | 3.341 | Fc1cc(ccc1NC(=O)CN2C[CH](C[CH]2C(=O)NCC3CC3)NC(=O)c4sc(Cl)cc4)N5C=CC=CC5=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)C[N@]3C[C@@H](C[C@H]3C(=O)NCC4CC4)NC(=O)c5ccc(s5)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1N2C=CC=CC2=O)F)NC(=O)CN3CC(CC3C(=O)NCC4CC4)NC(=O)c5ccc(s5)Cl |
| InChI | InChI | 1.03 | InChI=1S/C27H27ClFN5O4S/c28-23-9-8-22(39-23)27(38)31-17-11-21(26(37)30-13-16-4-5-16)33(14-17)15-24(35)32-20-7-6-18(12-19(20)29)34-10-2-1-3-25(34)36/h1-3,6-10,12,16-17,21H,4-5,11,13-15H2,(H,30,37)(H,31,38)(H,32,35)/t17-,21+/m1/s1 |
| InChIKey | InChI | 1.03 | LRFNMAKOTZSBFP-UTKZUKDTSA-N |
