UOD
Summary
| Name: | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone |
| Formula: | C30 H39 N5 O5 |
| Formal charge: | 0 |
| Formula weight: | 549.661 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone (non-preferred name) |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc2nc4c1ccc(C=CC(C(=O)NC(C(NC(C(N3CCCC(C(OC2C)=O)N3)=O)C)=O)C(C)C)(C)C)c4 |
| InChI | InChI | 1.03 | InChI=1S/C30H39N5O5/c1-17(2)25-26(36)31-18(3)27(37)35-15-7-8-23(34-35)28(38)40-19(4)22-12-11-21-10-9-20(16-24(21)32-22)13-14-30(5,6)29(39)33-25/h9-14,16-19,23,25,34H,7-8,15H2,1-6H3,(H,31,36)(H,33,39)/b14-13+/t18-,19+,23-,25-/m0/s1 |
| InChIKey | InChI | 1.03 | XCZDYKRNHKYRTQ-HQHUNAKVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@@H]1NC(=O)C(C)(C)\C=C\c2ccc3ccc(nc3c2)[C@@H](C)OC(=O)[C@@H]4CCC[N@@](N4)C(=O)[C@H](C)NC1=O |
| SMILES | CACTVS | 3.385 | CC(C)[CH]1NC(=O)C(C)(C)C=Cc2ccc3ccc(nc3c2)[CH](C)OC(=O)[CH]4CCC[N](N4)C(=O)[CH](C)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O)N[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O1)C)C(C)C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1c2ccc3ccc(cc3n2)C=CC(C(=O)NC(C(=O)NC(C(=O)N4CCCC(N4)C(=O)O1)C)C(C)C)(C)C |
