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

Systemtic Name: tert-butyl 4-[methyl-[5-methyl-4-oxidanylidene-7-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3,1-benzoxazin-2-yl]amino]butanoate Openeye Name: tert-butyl 4-[[7-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-methyl-4-oxo-3,1-benzoxazin-2-yl]-methyl-amino]butanoate CAS Name: 4-[methyl-[5-methyl-4-oxo-7-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-3,1-benzoxazin-2-yl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[methyl-[5-methyl-4-oxo-7-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3,1-benzoxazin-2-yl]amino]butanoate Traditional Name: 4-[[7-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-keto-5-methyl-3,1-benzoxazin-2-yl]-methyl-amino]butyric acid tert-butyl ester Formula: C35H40N4O7 MolecularWeight: 628.7147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H40N4O7/c1-23-19-26(21-27-30(23)32(42)45-33(37-27)39(5)18-12-17-29(40)46-35(2,3)4)36-31(41)28(20-24-13-8-6-9-14-24)38-34(43)44-22-25-15-10-7-11-16-25/h6-11,13-16,19,21,28H,12,17-18,20,22H2,1-5H3,(H,36,41)(H,38,43)