2-[[3-(2-azanyl-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[3-(2-azanyl-3-methyl-1-oxidanylidene-1-phenylmethoxy-butan-2-yl)-4,5-dihydro-1,2-oxazol-5-yl]carbonylamino]butanedioic acid Openeye Name: 2-[[3-(1-amino-1-benzyloxycarbonyl-2-methyl-propyl)-4,5-dihydroisoxazole-5-carbonyl]amino]butanedioic acid CAS Name: 2-[[[3-(2-amino-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl)-4,5-dihydroisoxazol-5-yl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[3-(2-amino-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]butanedioic acid Traditional Name: 2-[[3-(1-amino-1-carbobenzoxy-2-methyl-propyl)-2-isoxazoline-5-carbonyl]amino]succinic acid Formula: C20H25N3O8 MolecularWeight: 435.4278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NOC(C1)C(=O)NC(CC(=O)O)C(=O)O)(C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)C(C1=NOC(C1)C(=O)NC(CC(=O)O)C(=O)O)(C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C20H25N3O8/c1-11(2)20(21,19(29)30-10-12-6-4-3-5-7-12)15-9-14(31-23-15)17(26)22-13(18(27)28)8-16(24)25/h3-7,11,13-14H,8-10,21H2,1-2H3,(H,22,26)(H,24,25)(H,27,28)