2-[[1-[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[1-[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]butanedioic acid Openeye Name: 2-[[1-[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]butanedioic acid CAS Name: 2-[[[1-[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[1-[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]butanedioic acid Traditional Name: 2-[[1-[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]-3-methyl-butanoyl]prolyl]amino]succinic acid Formula: C18H28N4O9 MolecularWeight: 444.43632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O9/c1-8(2)14(21-15(27)9(19)6-12(23)24)17(29)22-5-3-4-11(22)16(28)20-10(18(30)31)7-13(25)26/h8-11,14H,3-7,19H2,1-2H3,(H,20,28)(H,21,27)(H,23,24)(H,25,26)(H,30,31)