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

Systemtic Name: ditert-butyl 2-[[5-methyl-4-oxidanylidene-7-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3,1-benzoxazin-2-yl]amino]pentanedioate Openeye Name: ditert-butyl 2-[[7-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]pentanedioate CAS Name: 2-[[5-methyl-4-oxo-7-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-3,1-benzoxazin-2-yl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[[5-methyl-4-oxo-7-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3,1-benzoxazin-2-yl]amino]pentanedioate Traditional Name: 2-[[7-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-keto-5-methyl-3,1-benzoxazin-2-yl]amino]glutaric acid ditert-butyl ester Formula: C39H46N4O9 MolecularWeight: 714.80394

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C39H46N4O9/c1-24-20-27(40-33(45)30(21-25-14-10-8-11-15-25)43-37(48)49-23-26-16-12-9-13-17-26)22-29-32(24)35(47)50-36(42-29)41-28(34(46)52-39(5,6)7)18-19-31(44)51-38(2,3)4/h8-17,20,22,28,30H,18-19,21,23H2,1-7H3,(H,40,45)(H,41,42)(H,43,48)