3-[[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]amino]-2-phenyl-propanoic acid

Systemtic Name: 3-[[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxidanylidene-1,4-benzoxazin-7-yl]amino]-2-phenyl-propanoic acid Openeye Name: 3-[[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxo-1,4-benzoxazin-7-yl]amino]-2-phenyl-propanoic acid CAS Name: 3-[[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxo-1,4-benzoxazin-7-yl]amino]-2-phenylpropanoic acid IUPAC Name: 3-[[4-[3-(1H-imidazol-2-ylamino)propyl]-3-oxo-1,4-benzoxazin-7-yl]amino]-2-phenylpropanoic acid Traditional Name: 3-[[4-[3-(1H-imidazol-2-ylamino)propyl]-3-keto-1,4-benzoxazin-7-yl]amino]-2-phenyl-propionic acid Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=C(C=C2)NCC(C3=CC=CC=C3)C(=O)O)CCCNC4=NC=CN4

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=C(C=C2)NCC(C3=CC=CC=C3)C(=O)O)CCCNC4=NC=CN4

InChI

InChI=1S/C23H25N5O4/c29-21-15-32-20-13-17(27-14-18(22(30)31)16-5-2-1-3-6-16)7-8-19(20)28(21)12-4-9-24-23-25-10-11-26-23/h1-3,5-8,10-11,13,18,27H,4,9,12,14-15H2,(H,30,31)(H2,24,25,26)