# CID 168009879

**CAS:** 86893-19-8  
**PubChem CID:** [168009879](https://pubchem.ncbi.nlm.nih.gov/compound/168009879)  
**Molecular formula:** C136H158N26O31  
**Molar mass:** 2652.9 g/mol  
**IUPAC:** 6-[[5-(2-aminoethylcarbamoyl)-2-pyridinyl]methylidene]-3,3-dimethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;6-[[4-(aminomethyl)-2-pyridinyl]methylidene]-3,3-dimethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;6-[[4-[(2-amino-2-oxoethyl)carbamoyl]-2-pyridinyl]methylidene]-3,3-dimethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;6-[[5-(3-aminopropylcarbamoyl)-2-pyridinyl]methylidene]-3,3-dimethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;6-[(4-amino-2-pyridinyl)methylidene]-3,3-dimethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;6-[(5-amino-2-pyridinyl)methylidene]-3,3-dimethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;3,3-dimethyl-7-oxo-6-[[5-(prop-2-enoxycarbonylamino)-2-pyridinyl]methylidene]-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;6-[[4-(hydroxymethyl)-2-pyridinyl]methylidene]-3,3-dimethyl-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid  
**SMILES:** `CC1(CC2C(=CC3=NC=C(C=C3)C(=O)NCCCN)C(=O)N2C1C(=O)O)C.CC1(CC2C(=CC3=NC=C(C=C3)C(=O)NCCN)C(=O)N2C1C(=O)O)C.CC1(CC2C(=CC3=NC=C(C=C3)N)C(=O)N2C1C(=O)O)C.CC1(CC2C(=CC3=NC=C(C=C3)NC(=O)OCC=C)C(=O)N2C1C(=O)O)C.CC1(CC2C(=CC3=NC=CC(=C3)CN)C(=O)N2C1C(=O)O)C.CC1(CC2C(=CC3=NC=CC(=C3)CO)C(=O)N2C1C(=O)O)C.CC1(CC2C(=CC3=NC=CC(=C3)C(=O)NCC(=O)N)C(=O)N2C1C(=O)O)C.CC1(CC2C(=CC3=NC=CC(=C3)N)C(=O)N2C1C(=O)O)C`  
**InChIKey:** `ZSCVPEFTSOGWDC-UHFFFAOYSA-N`  
**InChI:** `InChI=1S/C19H24N4O4.C19H21N3O5.C18H20N4O5.C18H22N4O4.C16H19N3O3.C16H18N2O4.2C15H17N3O3/c1-19(2)9-14-13(17(25)23(14)15(19)18(26)27)8-12-5-4-11(10-22-12)16(24)21-7-3-6-20;1-4-7-27-18(26)21-12-6-5-11(20-10-12)8-13-14-9-19(2,3)15(17(24)25)22(14)16(13)23;1-18(2)7-12-11(16(25)22(12)14(18)17(26)27)6-10-5-9(3-4-20-10)15(24)21-8-13(19)23;1-18(2)8-13-12(16(24)22(13)14(18)17(25)26)7-11-4-3-10(9-21-11)15(23)20-6-5-19;1-16(2)7-12-11(14(20)19(12)13(16)15(21)22)6-10-5-9(8-17)3-4-18-10;1-16(2)7-12-11(14(20)18(12)13(16)15(21)22)6-10-5-9(8-19)3-4-17-10;1-15(2)6-11-10(5-9-4-3-8(16)7-17-9)13(19)18(11)12(15)14(20)21;1-15(2)7-11-10(6-9-5-8(16)3-4-17-9)13(19)18(11)12(15)14(20)21/h4-5,8,10,14-15H,3,6-7,9,20H2,1-2H3,(H,21,24)(H,26,27);4-6,8,10,14-15H,1,7,9H2,2-3H3,(H,21,26)(H,24,25);3-6,12,14H,7-8H2,1-2H3,(H2,19,23)(H,21,24)(H,26,27);3-4,7,9,13-14H,5-6,8,19H2,1-2H3,(H,20,23)(H,25,26);3-6,12-13H,7-8,17H2,1-2H3,(H,21,22);3-6,12-13,19H,7-8H2,1-2H3,(H,21,22);3-5,7,11-12H,6,16H2,1-2H3,(H,20,21);3-6,11-12H,7H2,1-2H3,(H2,16,17)(H,20,21)`  

## Physicochemical properties

| Parameter | Value |
|---|---|
| PSA | 883 Ų |
| Hydrogen bond donors | 19 |
| Hydrogen bond acceptors | 44 |
| Rotatable bonds | 32 |
| Heavy atoms | 193 |

## 3D structure

The molecule contains 351 atoms connected by 367 chemical bonds. Interactive 3D model available at: https://molgod.org/molecule/86893-19-8/

## Synonyms

- 86893-19-8
- CID 162205393
- Glucamate DOE-120
- ZSCVPEFTSOGWDC-UHFFFAOYSA-N
- C136H158N26O31

## Data sources

- [PubChem CID 168009879](https://pubchem.ncbi.nlm.nih.gov/compound/168009879)
- [NIST WebBook](https://webbook.nist.gov/cgi/cbook.cgi?ID=86893-19-8)
- [ChEMBL](https://www.ebi.ac.uk/chembl/g/#search_results/all/query=86893-19-8)

---

*Last updated: 2026-10-17 · Generator: MOL-GOD v3.12.33*