sodium (2S,3S)-3-[[(2S)-1-(5-acetamidopentylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]oxirane-2-carboxylate

Systemtic Name: sodium (2S,3S)-3-[[(2S)-1-(5-acetamidopentylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: sodium (2S,3S)-3-[[(1S)-1-(5-acetamidopentylcarbamoyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylate CAS Name: sodium (2S,3S)-3-[[[(2S)-1-(5-acetamidopentylamino)-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: sodium (2S,3S)-3-[[(2S)-1-(5-acetamidopentylamino)-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: sodium (2S,3S)-3-[[(1S)-1-(5-acetamidopentylcarbamoyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylate Formula: C17H28N3NaO6 MolecularWeight: 393.41049

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCCCNC(=O)C)NC(=O)C1C(O1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCCCCCNC(=O)C)NC(=O)[C@@H]1[C@H](O1)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H29N3O6.Na/c1-10(2)9-12(20-16(23)13-14(26-13)17(24)25)15(22)19-8-6-4-5-7-18-11(3)21;/h10,12-14H,4-9H2,1-3H3,(H,18,21)(H,19,22)(H,20,23)(H,24,25);/q;+1/p-1/t12-,13-,14-;/m0./s1