tert-butyl 2-[1-[(2S)-2-azanyl-3-phenyl-propanoyl]-7-nitro-5-oxidanylidene-2,3-dihydro-1,4-benzodiazepin-4-yl]ethanoate

Systemtic Name: tert-butyl 2-[1-[(2S)-2-azanyl-3-phenyl-propanoyl]-7-nitro-5-oxidanylidene-2,3-dihydro-1,4-benzodiazepin-4-yl]ethanoate Openeye Name: tert-butyl 2-[1-[(2S)-2-amino-3-phenyl-propanoyl]-7-nitro-5-oxo-2,3-dihydro-1,4-benzodiazepin-4-yl]acetate CAS Name: 2-[1-[(2S)-2-amino-1-oxo-3-phenylpropyl]-7-nitro-5-oxo-2,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-[(2S)-2-amino-3-phenylpropanoyl]-7-nitro-5-oxo-2,3-dihydro-1,4-benzodiazepin-4-yl]acetate Traditional Name: 2-[1-[(2S)-2-amino-3-phenyl-propanoyl]-5-keto-7-nitro-2,3-dihydro-1,4-benzodiazepin-4-yl]acetic acid tert-butyl ester Formula: C24H28N4O6 MolecularWeight: 468.50232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCN(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCN(C2=C(C1=O)C=C(C=C2)[N+](=O)[O-])C(=O)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C24H28N4O6/c1-24(2,3)34-21(29)15-26-11-12-27(23(31)19(25)13-16-7-5-4-6-8-16)20-10-9-17(28(32)33)14-18(20)22(26)30/h4-10,14,19H,11-13,15,25H2,1-3H3/t19-/m0/s1