potassium 3-[[4-methyl-1-oxidanylidene-1-[4-(phenylmethoxycarbonylamino)butylamino]pentan-2-yl]carbamoyl]oxirane-2-carboxylate

Systemtic Name: potassium 3-[[4-methyl-1-oxidanylidene-1-[4-(phenylmethoxycarbonylamino)butylamino]pentan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: potassium 3-[[1-[4-(benzyloxycarbonylamino)butylcarbamoyl]-3-methyl-butyl]carbamoyl]oxirane-2-carboxylate CAS Name: potassium 3-[[[4-methyl-1-oxo-1-[4-(phenylmethoxycarbonylamino)butylamino]pentan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: potassium 3-[[4-methyl-1-oxo-1-[4-(phenylmethoxycarbonylamino)butylamino]pentan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: potassium 3-[[1-[4-(benzyloxycarbonylamino)butylcarbamoyl]-3-methyl-butyl]carbamoyl]oxirane-2-carboxylate Formula: C22H30KN3O7 MolecularWeight: 487.5878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCCNC(=O)OCC1=CC=CC=C1)NC(=O)C2C(O2)C(=O)[O-].[K+]

Isomeric SMILES

CC(C)CC(C(=O)NCCCCNC(=O)OCC1=CC=CC=C1)NC(=O)C2C(O2)C(=O)[O-].[K+]

InChI

InChI=1S/C22H31N3O7.K/c1-14(2)12-16(25-20(27)17-18(32-17)21(28)29)19(26)23-10-6-7-11-24-22(30)31-13-15-8-4-3-5-9-15;/h3-5,8-9,14,16-18H,6-7,10-13H2,1-2H3,(H,23,26)(H,24,30)(H,25,27)(H,28,29);/q;+1/p-1