EVV
Summary
| Name: | N-(2-ethoxy-4-{5-[({[(2R)-2-{(1R)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-L-aspartic acid |
| Formula: | C30 H40 N4 O11 |
| Formal charge: | 0 |
| Formula weight: | 632.659 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(2-ethoxy-4-{5-[({[(2R)-2-{(1R)-1-[formyl(hydroxy)amino]propyl}heptanoyl]amino}methyl)carbamoyl]furan-2-yl}benzene-1-carbonyl)-L-aspartic acid |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-2-[[2-ethoxy-4-[5-[[[(2~{R})-2-[(1~{R})-1-[methanoyl(oxidanyl)amino]propyl]heptanoyl]amino]methylcarbamoyl]furan-2-yl]phenyl]carbonylamino]butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(CC)N(O)C=O)(CCCCC)C(NCNC(=O)c1ccc(o1)c2ccc(C(=O)NC(C(O)=O)CC(=O)O)c(c2)OCC)=O |
| InChI | InChI | 1.03 | InChI=1S/C30H40N4O11/c1-4-7-8-9-19(22(5-2)34(43)17-35)27(38)31-16-32-29(40)24-13-12-23(45-24)18-10-11-20(25(14-18)44-6-3)28(39)33-21(30(41)42)15-26(36)37/h10-14,17,19,21-22,43H,4-9,15-16H2,1-3H3,(H,31,38)(H,32,40)(H,33,39)(H,36,37)(H,41,42)/t19-,21+,22-/m1/s1 |
| InChIKey | InChI | 1.03 | SFAJGGFDBDWTMC-BAGYTPMASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC[C@H]([C@@H](CC)N(O)C=O)C(=O)NCNC(=O)c1oc(cc1)c2ccc(C(=O)N[C@@H](CC(O)=O)C(O)=O)c(OCC)c2 |
| SMILES | CACTVS | 3.385 | CCCCC[CH]([CH](CC)N(O)C=O)C(=O)NCNC(=O)c1oc(cc1)c2ccc(C(=O)N[CH](CC(O)=O)C(O)=O)c(OCC)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCCC[C@H]([C@@H](CC)N(C=O)O)C(=O)NCNC(=O)c1ccc(o1)c2ccc(c(c2)OCC)C(=O)N[C@@H](CC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCC(C(CC)N(C=O)O)C(=O)NCNC(=O)c1ccc(o1)c2ccc(c(c2)OCC)C(=O)NC(CC(=O)O)C(=O)O |
