INP
Summary
| Name: | 4-[[N-[(PHENYLMETHOXY)CARBONYL]-/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-(PYRIDINYLMETHOXY)CARBONYL]AMINO]-4-METHYLPENT/NYL]-3-PYRROLIDINONE/N |
| Synonyms: | PYRROLIDINONE |
| Formula: | C31 H43 N5 O6 |
| Formal charge: | 0 |
| Formula weight: | 581.703 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-{(3R)-1-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentyl]-4-oxopyrrolidin-3-yl}-N~2~-[(pyridin-4-ylmethoxy)carbonyl]-L-leucinamide |
| OpenEye OEToolkits | 1.5.0 | phenylmethyl N-[(2S)-4-methyl-1-[(1S,3R)-3-[[(2S)-4-methyl-2-(pyridin-4-ylmethoxycarbonylamino)pentanoyl]amino]-4-oxo-pyrrolidin-1-yl]pentan-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OCc1ccncc1)NC(C(=O)NC3C(=O)CN(CC(NC(=O)OCc2ccccc2)CC(C)C)C3)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)C[C@@H](CN1C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccncc2)C(=O)C1)NC(=O)OCc3ccccc3 |
| SMILES | CACTVS | 3.341 | CC(C)C[CH](CN1C[CH](NC(=O)[CH](CC(C)C)NC(=O)OCc2ccncc2)C(=O)C1)NC(=O)OCc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)C[C@@H](C[N@]1C[C@H](C(=O)C1)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccncc2)NC(=O)OCc3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CC(CN1CC(C(=O)C1)NC(=O)C(CC(C)C)NC(=O)OCc2ccncc2)NC(=O)OCc3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C31H43N5O6/c1-21(2)14-25(33-30(39)41-19-23-8-6-5-7-9-23)16-36-17-27(28(37)18-36)34-29(38)26(15-22(3)4)35-31(40)42-20-24-10-12-32-13-11-24/h5-13,21-22,25-27H,14-20H2,1-4H3,(H,33,39)(H,34,38)(H,35,40)/t25-,26-,27+/m0/s1 |
| InChIKey | InChI | 1.03 | YCGCXDDZHQMZQY-GMQQYTKMSA-N |
