sodium 7-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2-[(2,2-dimethylcyclopropyl)carbamoyl]heptanoic acid

Systemtic Name: sodium 7-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-2-[(2,2-dimethylcyclopropyl)carbamoyl]heptanoic acid Openeye Name: sodium 7-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-2-[(2,2-dimethylcyclopropyl)carbamoyl]heptanoic acid CAS Name: sodium 7-[(2-amino-3-hydroxy-3-oxopropyl)thio]-2-[[(2,2-dimethylcyclopropyl)amino]-oxomethyl]heptanoic acid IUPAC Name: sodium 7-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-2-[(2,2-dimethylcyclopropyl)carbamoyl]heptanoic acid Traditional Name: sodium 7-[(2-amino-3-hydroxy-3-keto-propyl)thio]-2-[(2,2-dimethylcyclopropyl)carbamoyl]enanthic acid Formula: C16H28N2NaO5S+ MolecularWeight: 383.45869

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1NC(=O)C(CCCCCSCC(C(=O)O)N)C(=O)O)C.[Na+]

Isomeric SMILES

CC1(CC1NC(=O)C(CCCCCSCC(C(=O)O)N)C(=O)O)C.[Na+]

InChI

InChI=1S/C16H28N2O5S.Na/c1-16(2)8-12(16)18-13(19)10(14(20)21)6-4-3-5-7-24-9-11(17)15(22)23;/h10-12H,3-9,17H2,1-2H3,(H,18,19)(H,20,21)(H,22,23);/q;+1