3-[2-(2-azanylethanoylamino)ethanoyl]-4,7-bis(oxidanylidene)-1,3-thiazepane-2-carboxylic acid

Systemtic Name: 3-[2-(2-azanylethanoylamino)ethanoyl]-4,7-bis(oxidanylidene)-1,3-thiazepane-2-carboxylic acid Openeye Name: 3-[2-[(2-aminoacetyl)amino]acetyl]-4,7-dioxo-1,3-thiazepane-2-carboxylic acid CAS Name: 3-[2-[(2-amino-1-oxoethyl)amino]-1-oxoethyl]-4,7-dioxo-1,3-thiazepane-2-carboxylic acid IUPAC Name: 3-[2-[(2-aminoacetyl)amino]acetyl]-4,7-dioxo-1,3-thiazepane-2-carboxylic acid Traditional Name: 3-[2-(glycylamino)acetyl]-4,7-diketo-1,3-thiazepane-2-carboxylic acid Formula: C10H13N3O6S MolecularWeight: 303.29172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)SC(N(C1=O)C(=O)CNC(=O)CN)C(=O)O

Isomeric SMILES

C1CC(=O)SC(N(C1=O)C(=O)CNC(=O)CN)C(=O)O

InChI

InChI=1S/C10H13N3O6S/c11-3-5(14)12-4-7(16)13-6(15)1-2-8(17)20-9(13)10(18)19/h9H,1-4,11H2,(H,12,14)(H,18,19)