4-[tert-butyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-[[5-methyl-4-oxidanylidene-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[tert-butyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-[[5-methyl-4-oxidanylidene-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[2-(tert-butoxycarbonylamino)propanoyl-tert-butyl-amino]-5-[[2-(isopropylamino)-5-methyl-4-oxo-3,1-benzoxazin-7-yl]amino]-5-oxo-pentanoic acid CAS Name: 4-[tert-butyl-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-5-[[5-methyl-4-oxo-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[tert-butyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-[[5-methyl-4-oxo-2-(propan-2-ylamino)-3,1-benzoxazin-7-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[2-(tert-butoxycarbonylamino)propanoyl-tert-butyl-amino]-5-[[2-(isopropylamino)-4-keto-5-methyl-3,1-benzoxazin-7-yl]amino]-5-keto-valeric acid Formula: C29H43N5O8 MolecularWeight: 589.68042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)OC(=N2)NC(C)C)NC(=O)C(CCC(=O)O)N(C(=O)C(C)NC(=O)OC(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)OC(=N2)NC(C)C)NC(=O)C(CCC(=O)O)N(C(=O)C(C)NC(=O)OC(C)(C)C)C(C)(C)C

InChI

InChI=1S/C29H43N5O8/c1-15(2)30-26-33-19-14-18(13-16(3)22(19)25(39)41-26)32-23(37)20(11-12-21(35)36)34(28(5,6)7)24(38)17(4)31-27(40)42-29(8,9)10/h13-15,17,20H,11-12H2,1-10H3,(H,30,33)(H,31,40)(H,32,37)(H,35,36)