(2R)-3-sulfanyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propanoic acid

Systemtic Name: (2R)-3-sulfanyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propanoic acid Openeye Name: (2R)-3-sulfanyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propanoic acid CAS Name: (2R)-3-mercapto-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propanoic acid IUPAC Name: (2R)-3-sulfanyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propanoic acid Traditional Name: (2R)-3-mercapto-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)propionic acid Formula: C9H16N2O2S MolecularWeight: 216.30054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NC(CS)C(=O)O

Isomeric SMILES

C1CCC(=NCC1)N[C@@H](CS)C(=O)O

InChI

InChI=1S/C9H16N2O2S/c12-9(13)7(6-14)11-8-4-2-1-3-5-10-8/h7,14H,1-6H2,(H,10,11)(H,12,13)/t7-/m0/s1