C1G
Summary
| Name: | N~1~-[(2S)-1-amino-5-(carbamoylamino)pentan-2-yl]-N'~1~-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide |
| Formula: | C18 H29 N5 O3 S |
| Formal charge: | 0 |
| Formula weight: | 395.52 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N~1~-[(2S)-1-amino-5-(carbamoylamino)pentan-2-yl]-N'~1~-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide |
| OpenEye OEToolkits | 2.0.6 | ~{N}1'-[(2~{S})-5-(aminocarbonylamino)-1-azanyl-pentan-2-yl]-~{N}1-[(1~{R})-1-thiophen-3-ylethyl]cyclobutane-1,1-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)(C1(CCC1)C(NC(CCCNC(N)=O)CN)=O)NC(C)c2ccsc2 |
| InChI | InChI | 1.03 | InChI=1S/C18H29N5O3S/c1-12(13-5-9-27-11-13)22-15(24)18(6-3-7-18)16(25)23-14(10-19)4-2-8-21-17(20)26/h5,9,11-12,14H,2-4,6-8,10,19H2,1H3,(H,22,24)(H,23,25)(H3,20,21,26)/t12-,14+/m1/s1 |
| InChIKey | InChI | 1.03 | QWGHBARYVOPELP-OCCSQVGLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(=O)C1(CCC1)C(=O)N[C@H](CN)CCCNC(N)=O)c2cscc2 |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)C1(CCC1)C(=O)N[CH](CN)CCCNC(N)=O)c2cscc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](c1ccsc1)NC(=O)C2(CCC2)C(=O)N[C@@H](CCCNC(=O)N)CN |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(c1ccsc1)NC(=O)C2(CCC2)C(=O)NC(CCCNC(=O)N)CN |
