BCV
Summary
| Name: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-CYCLOPROPYLGLYCINE |
| Formula: | C14 H23 N3 O6 S |
| Formal charge: | 0 |
| Formula weight: | 361.414 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N~6~-[(1R)-2-{[(R)-carboxy(cyclopropyl)methyl]amino}-2-oxo-1-(sulfanylmethyl)ethyl]-6-oxo-L-lysine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-6-[[(2R)-1-[[(1R)-1-cyclopropyl-2-hydroxy-2-oxo-ethyl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)C(NC(=O)CCCC(C(=O)O)N)CS)C1CC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CCCC(=O)N[C@@H](CS)C(=O)N[C@H](C1CC1)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CCCC(=O)N[CH](CS)C(=O)N[CH](C1CC1)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CC1[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CC1C(C(=O)O)NC(=O)C(CS)NC(=O)CCCC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C14H23N3O6S/c15-8(13(20)21)2-1-3-10(18)16-9(6-24)12(19)17-11(14(22)23)7-4-5-7/h7-9,11,24H,1-6,15H2,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t8-,9-,11+/m0/s1 |
| InChIKey | InChI | 1.03 | QDTDEZBVMFHOLY-ATZCPNFKSA-N |
