methyl (2S)-2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]-3-phenylmethoxy-propanoate

Systemtic Name: methyl (2S)-2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-3,1-benzoxazin-2-yl]amino]-3-phenylmethoxy-propanoate Openeye Name: methyl (2S)-3-benzyloxy-2-[[6-(tert-butoxycarbonylamino)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]propanoate CAS Name: (2S)-2-[[5-methyl-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenylmethoxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenylmethoxypropanoate Traditional Name: (2S)-3-benzoxy-2-[[6-(tert-butoxycarbonylamino)-4-keto-5-methyl-3,1-benzoxazin-2-yl]amino]propionic acid methyl ester Formula: C25H29N3O7 MolecularWeight: 483.51366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(COCC3=CC=CC=C3)C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)N[C@@H](COCC3=CC=CC=C3)C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H29N3O7/c1-15-17(28-24(31)35-25(2,3)4)11-12-18-20(15)22(30)34-23(26-18)27-19(21(29)32-5)14-33-13-16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,26,27)(H,28,31)/t19-/m0/s1