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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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