sodium (2S,3S)-3-[[(2S)-1-(4-acetamidobutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylate

Systemtic Name: sodium (2S,3S)-3-[[(2S)-1-(4-acetamidobutylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: sodium (2S,3S)-3-[[(1S)-2-(4-acetamidobutylamino)-1-benzyl-2-oxo-ethyl]carbamoyl]oxirane-2-carboxylate CAS Name: sodium (2S,3S)-3-[[[(2S)-1-(4-acetamidobutylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: sodium (2S,3S)-3-[[(2S)-1-(4-acetamidobutylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: sodium (2S,3S)-3-[[(1S)-2-(4-acetamidobutylamino)-1-benzyl-2-keto-ethyl]carbamoyl]oxirane-2-carboxylate Formula: C19H24N3NaO6 MolecularWeight: 413.40013

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)C2C(O2)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)NCCCCNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2[C@H](O2)C(=O)[O-].[Na+]

InChI

InChI=1S/C19H25N3O6.Na/c1-12(23)20-9-5-6-10-21-17(24)14(11-13-7-3-2-4-8-13)22-18(25)15-16(28-15)19(26)27;/h2-4,7-8,14-16H,5-6,9-11H2,1H3,(H,20,23)(H,21,24)(H,22,25)(H,26,27);/q;+1/p-1/t14-,15-,16-;/m0./s1