MY5
Summary
| Name: | {1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)-1-METHYL-2-OXOETHYL]AMINO}-3-HYDROXY-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID |
| Formula: | C16 H22 N4 O6 |
| Formal charge: | 0 |
| Formula weight: | 366.369 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {1-[(3S)-4-{[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino}-3-hydroxy-4-oxobutanoyl]hydrazinyl}acetic acid |
| OpenEye OEToolkits | 1.7.2 | 2-[azanyl-[(3S)-3-oxidanyl-4-oxidanylidene-4-[[(2S)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]amino]butanoyl]amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CN(N)C(=O)CC(O)C(=O)NC(C(=O)NCc1ccccc1)C |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H](NC(=O)[C@@H](O)CC(=O)N(N)CC(O)=O)C(=O)NCc1ccccc1 |
| SMILES | CACTVS | 3.370 | C[CH](NC(=O)[CH](O)CC(=O)N(N)CC(O)=O)C(=O)NCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | C[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](CC(=O)N(CC(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(C(=O)NCc1ccccc1)NC(=O)C(CC(=O)N(CC(=O)O)N)O |
| InChI | InChI | 1.03 | InChI=1S/C16H22N4O6/c1-10(15(25)18-8-11-5-3-2-4-6-11)19-16(26)12(21)7-13(22)20(17)9-14(23)24/h2-6,10,12,21H,7-9,17H2,1H3,(H,18,25)(H,19,26)(H,23,24)/t10-,12-/m0/s1 |
| InChIKey | InChI | 1.03 | JZPDINAZOJYWHO-JQWIXIFHSA-N |
