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

Systemtic Name: 1-[1-[2-[(2-azanyl-4-methyl-pentanoyl)amino]-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[1-[2-[(2-amino-4-methyl-pentanoyl)amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[1-[2-[(2-amino-4-methyl-1-oxopentyl)amino]-3-mercapto-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[1-[2-[(2-amino-4-methylpentanoyl)amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[1-[2-[(2-amino-4-methyl-pentanoyl)amino]-3-mercapto-propanoyl]prolyl]proline Formula: C19H32N4O5S MolecularWeight: 428.54618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CS)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CS)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)O)N

InChI

InChI=1S/C19H32N4O5S/c1-11(2)9-12(20)16(24)21-13(10-29)17(25)22-7-3-5-14(22)18(26)23-8-4-6-15(23)19(27)28/h11-15,29H,3-10,20H2,1-2H3,(H,21,24)(H,27,28)