1-[2-[[6-azanyl-2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[6-azanyl-2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[6-amino-2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[6-amino-2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-1-oxohexyl]amino]-4-(methylthio)-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[6-amino-2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[6-amino-2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]hexanoyl]amino]-4-(methylthio)butanoyl]proline Formula: C21H37N5O7S MolecularWeight: 503.61278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCC1C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CSCCC(C(=O)N1CCCC1C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C21H37N5O7S/c1-34-12-9-15(20(31)26-11-4-6-16(26)21(32)33)25-19(30)14(5-2-3-10-22)24-18(29)13(23)7-8-17(27)28/h13-16H,2-12,22-23H2,1H3,(H,24,29)(H,25,30)(H,27,28)(H,32,33)