2-[[1-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[1-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[1-[2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid CAS Name: 2-[[[1-[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[1-[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[1-[2-[(2-amino-3-mercapto-propanoyl)amino]-3-methyl-butanoyl]prolyl]amino]glutaric acid Formula: C18H30N4O7S MolecularWeight: 446.5184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4O7S/c1-9(2)14(21-15(25)10(19)8-30)17(27)22-7-3-4-12(22)16(26)20-11(18(28)29)5-6-13(23)24/h9-12,14,30H,3-8,19H2,1-2H3,(H,20,26)(H,21,25)(H,23,24)(H,28,29)