2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]-6-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: 2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)amino]-6-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: 6-(benzyloxycarbonylamino)-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]hexanoic acid CAS Name: 2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-6-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: 2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]-6-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: 6-(benzyloxycarbonylamino)-2-[(4-keto-5-methyl-3,1-benzoxazin-2-yl)amino]hexanoic acid Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(OC2=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H25N3O6/c1-15-8-7-12-17-19(15)21(29)32-22(25-17)26-18(20(27)28)11-5-6-13-24-23(30)31-14-16-9-3-2-4-10-16/h2-4,7-10,12,18H,5-6,11,13-14H2,1H3,(H,24,30)(H,25,26)(H,27,28)