M2W
Summary
| Name: | DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-O-METHYL-D-THREONINE |
| Formula: | C14 H25 N3 O7 S |
| Formal charge: | 0 |
| Formula weight: | 379.429 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-O-methyl-D-threonine |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-azanyl-6-[[(2R)-1-[[(2R,3S)-3-methoxy-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C(=O)O)C(OC)C)C(NC(=O)CCCC(C(=O)O)N)CS |
| InChI | InChI | 1.03 | InChI=1S/C14H25N3O7S/c1-7(24-2)11(14(22)23)17-12(19)9(6-25)16-10(18)5-3-4-8(15)13(20)21/h7-9,11,25H,3-6,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)/t7-,8-,9-,11+/m0/s1 |
| InChIKey | InChI | 1.03 | LVCFAJQOVSJZGP-FTYOSLGDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H](C)[C@@H](NC(=O)[C@H](CS)NC(=O)CCC[C@H](N)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CO[CH](C)[CH](NC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@@H]([C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)N)OC |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(C(C(=O)O)NC(=O)C(CS)NC(=O)CCCC(C(=O)O)N)OC |
