A1H9Y
Summary
| Name: | (2R,3R)-3-[[(2S)-3-cyclopropyl-2-[3-(2-methylpropanoylamino)-2-oxidanylidene-pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide |
| Formula: | C24 H35 N5 O6 |
| Formal charge: | 0 |
| Formula weight: | 489.565 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R})-3-[[(2~{S})-3-cyclopropyl-2-[3-(2-methylpropanoylamino)-2-oxidanylidene-pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H35N5O6/c1-13(2)20(31)27-16-5-4-10-29(24(16)35)18(11-14-6-7-14)22(33)28-17(19(30)23(34)25-3)12-15-8-9-26-21(15)32/h4-5,10,13-15,17-19,30H,6-9,11-12H2,1-3H3,(H,25,34)(H,26,32)(H,27,31)(H,28,33)/t15-,17+,18-,19+/m0/s1 |
| InChIKey | InChI | 1.06 | XBTRGWYUGIHXFR-WZGPROSRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)[C@H](O)[C@@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC2CC2)N3C=CC=C(NC(=O)C(C)C)C3=O |
| SMILES | CACTVS | 3.385 | CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CC2)N3C=CC=C(NC(=O)C(C)C)C3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C(=O)NC1=CC=CN(C1=O)[C@@H](CC2CC2)C(=O)N[C@H](C[C@@H]3CCNC3=O)[C@H](C(=O)NC)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(=O)NC1=CC=CN(C1=O)C(CC2CC2)C(=O)NC(CC3CCNC3=O)C(C(=O)NC)O |
