tert-butyl (2S)-6-azanyl-2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-phenylmethoxycarbonyl-amino]hexanoate

Systemtic Name: tert-butyl (2S)-6-azanyl-2-[(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-phenylmethoxycarbonyl-amino]hexanoate Openeye Name: tert-butyl (2S)-6-amino-2-[benzyloxycarbonyl-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)amino]hexanoate CAS Name: (2S)-6-amino-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-phenylmethoxycarbonylamino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-6-amino-2-[(5-methyl-4-oxo-3,1-benzoxazin-2-yl)-phenylmethoxycarbonylamino]hexanoate Traditional Name: (2S)-6-amino-2-[carbobenzoxy-(4-keto-5-methyl-3,1-benzoxazin-2-yl)amino]hexanoic acid tert-butyl ester Formula: C27H33N3O6 MolecularWeight: 495.56742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(OC2=O)N(C(CCCCN)C(=O)OC(C)(C)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)N([C@@H](CCCCN)C(=O)OC(C)(C)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H33N3O6/c1-18-11-10-14-20-22(18)24(32)35-25(29-20)30(26(33)34-17-19-12-6-5-7-13-19)21(15-8-9-16-28)23(31)36-27(2,3)4/h5-7,10-14,21H,8-9,15-17,28H2,1-4H3/t21-/m0/s1