disodium 4-azanyl-5-[[3-[2-[(3-methyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl)carbamoyl]pyrrolidin-1-yl]carbonyl-4-oxidanyl-phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: disodium 4-azanyl-5-[[3-[2-[(3-methyl-1-oxidanidyl-1-oxidanylidene-butan-2-yl)carbamoyl]pyrrolidin-1-yl]carbonyl-4-oxidanyl-phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: disodium 4-amino-5-[3-[2-[(1-carboxylato-2-methyl-propyl)carbamoyl]pyrrolidine-1-carbonyl]-4-hydroxy-anilino]-5-oxo-pentanoate CAS Name: disodium 4-amino-5-[4-hydroxy-3-[[2-[[(3-methyl-1-oxido-1-oxobutan-2-yl)amino]-oxomethyl]-1-pyrrolidinyl]-oxomethyl]anilino]-5-oxopentanoate IUPAC Name: disodium 4-amino-5-[4-hydroxy-3-[2-[(3-methyl-1-oxido-1-oxobutan-2-yl)carbamoyl]pyrrolidine-1-carbonyl]anilino]-5-oxopentanoate Traditional Name: disodium 4-amino-5-[3-[2-[(1-carboxylato-2-methyl-propyl)carbamoyl]pyrrolidine-1-carbonyl]-4-hydroxy-anilino]-5-keto-valerate Formula: C22H28N4Na2O8 MolecularWeight: 522.45926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1CCCN1C(=O)C2=C(C=CC(=C2)NC(=O)C(CCC(=O)[O-])N)O.[Na+].[Na+]

Isomeric SMILES

CC(C)C(C(=O)[O-])NC(=O)C1CCCN1C(=O)C2=C(C=CC(=C2)NC(=O)C(CCC(=O)[O-])N)O.[Na+].[Na+]

InChI

InChI=1S/C22H30N4O8.2Na/c1-11(2)18(22(33)34)25-20(31)15-4-3-9-26(15)21(32)13-10-12(5-7-16(13)27)24-19(30)14(23)6-8-17(28)29;;/h5,7,10-11,14-15,18,27H,3-4,6,8-9,23H2,1-2H3,(H,24,30)(H,25,31)(H,28,29)(H,33,34);;/q;2*+1/p-2