2-[[5-methyl-4-oxidanylidene-7-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3,1-benzoxazin-2-yl]amino]propanoic acid

Systemtic Name: 2-[[5-methyl-4-oxidanylidene-7-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3,1-benzoxazin-2-yl]amino]propanoic acid Openeye Name: 2-[[7-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]propanoic acid CAS Name: 2-[[5-methyl-4-oxo-7-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-3,1-benzoxazin-2-yl]amino]propanoic acid IUPAC Name: 2-[[5-methyl-4-oxo-7-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3,1-benzoxazin-2-yl]amino]propanoic acid Traditional Name: 2-[[7-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-keto-5-methyl-3,1-benzoxazin-2-yl]amino]propionic acid Formula: C29H28N4O7 MolecularWeight: 544.55522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)OC(=N2)NC(C)C(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)OC(=N2)NC(C)C(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H28N4O7/c1-17-13-21(15-22-24(17)27(37)40-28(32-22)30-18(2)26(35)36)31-25(34)23(14-19-9-5-3-6-10-19)33-29(38)39-16-20-11-7-4-8-12-20/h3-13,15,18,23H,14,16H2,1-2H3,(H,30,32)(H,31,34)(H,33,38)(H,35,36)