11W
Summary
| Name: | (4R)-4-[(2E)-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-L-glutamic acid |
| Synonyms: | trans-GluAzo |
| Formula: | C20 H21 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 367.398 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-4-[(2E)-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-en-1-yl]-L-glutamic acid |
| OpenEye OEToolkits | 1.7.6 | (2S,4R)-2-azanyl-4-[(E)-3-[4-[(E)-phenyldiazenyl]phenyl]prop-2-enyl]pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(N)CC(C(=O)O)C/C=C/c2ccc(/N=N/c1ccccc1)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C20H21N3O4/c21-18(20(26)27)13-15(19(24)25)6-4-5-14-9-11-17(12-10-14)23-22-16-7-2-1-3-8-16/h1-5,7-12,15,18H,6,13,21H2,(H,24,25)(H,26,27)/b5-4+,23-22+/t15-,18+/m1/s1 |
| InChIKey | InChI | 1.03 | MUSRDKYERZDIAD-MTDKYJNHSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](C[C@@H](C\C=C\c1ccc(cc1)N=Nc2ccccc2)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](C[CH](CC=Cc1ccc(cc1)N=Nc2ccccc2)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)/N=N/c2ccc(cc2)/C=C/C[C@H](C[C@@H](C(=O)O)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)N=Nc2ccc(cc2)C=CCC(CC(C(=O)O)N)C(=O)O |
