1-[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-sulfanyl-propanoyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-mercapto-1-oxopropyl]amino]-3-methyl-1-oxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-[(2-amino-4-methyl-pentanoyl)amino]-3-mercapto-propanoyl]amino]-3-methyl-pentanoyl]proline Formula: C20H36N4O5S MolecularWeight: 444.58864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C(CS)NC(=O)C(CC(C)C)N

Isomeric SMILES

CCC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C(CS)NC(=O)C(CC(C)C)N

InChI

InChI=1S/C20H36N4O5S/c1-5-12(4)16(19(27)24-8-6-7-15(24)20(28)29)23-18(26)14(10-30)22-17(25)13(21)9-11(2)3/h11-16,30H,5-10,21H2,1-4H3,(H,22,25)(H,23,26)(H,28,29)