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

Systemtic Name: ditert-butyl 2-[[5-methyl-4-oxidanylidene-7-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3,1-benzoxazin-2-yl]amino]butanedioate Openeye Name: ditert-butyl 2-[[7-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]butanedioate CAS Name: 2-[[5-methyl-4-oxo-7-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-3,1-benzoxazin-2-yl]amino]butanedioic 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]butanedioate Traditional Name: 2-[[7-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-keto-5-methyl-3,1-benzoxazin-2-yl]amino]succinic acid ditert-butyl ester Formula: C38H44N4O9 MolecularWeight: 700.77736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)OC(=N2)NC(CC(=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(CC(=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/C38H44N4O9/c1-23-18-26(39-32(44)28(19-24-14-10-8-11-15-24)42-36(47)48-22-25-16-12-9-13-17-25)20-27-31(23)34(46)49-35(40-27)41-29(33(45)51-38(5,6)7)21-30(43)50-37(2,3)4/h8-18,20,28-29H,19,21-22H2,1-7H3,(H,39,44)(H,40,41)(H,42,47)