potassium 3-[[4-methyl-1-oxidanylidene-1-[7-(phenylmethoxycarbonylamino)heptylamino]pentan-2-yl]carbamoyl]oxirane-2-carboxylate

Systemtic Name: potassium 3-[[4-methyl-1-oxidanylidene-1-[7-(phenylmethoxycarbonylamino)heptylamino]pentan-2-yl]carbamoyl]oxirane-2-carboxylate Openeye Name: potassium 3-[[1-[7-(benzyloxycarbonylamino)heptylcarbamoyl]-3-methyl-butyl]carbamoyl]oxirane-2-carboxylate CAS Name: potassium 3-[[[4-methyl-1-oxo-1-[7-(phenylmethoxycarbonylamino)heptylamino]pentan-2-yl]amino]-oxomethyl]-2-oxiranecarboxylate IUPAC Name: potassium 3-[[4-methyl-1-oxo-1-[7-(phenylmethoxycarbonylamino)heptylamino]pentan-2-yl]carbamoyl]oxirane-2-carboxylate Traditional Name: potassium 3-[[1-[7-(benzyloxycarbonylamino)heptylcarbamoyl]-3-methyl-butyl]carbamoyl]oxirane-2-carboxylate Formula: C25H36KN3O7 MolecularWeight: 529.66754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O7.K/c1-17(2)15-19(28-23(30)20-21(35-20)24(31)32)22(29)26-13-9-4-3-5-10-14-27-25(33)34-16-18-11-7-6-8-12-18;/h6-8,11-12,17,19-21H,3-5,9-10,13-16H2,1-2H3,(H,26,29)(H,27,33)(H,28,30)(H,31,32);/q;+1/p-1