tert-butyl N-[(E,3R)-5-azanyl-1-cyano-1-(4-nitrophenyl)-2-oxidanyl-4-oxidanylidene-6-(4-phenylmethoxyphenyl)hex-1-en-3-yl]carbamate

Systemtic Name: tert-butyl N-[(E,3R)-5-azanyl-1-cyano-1-(4-nitrophenyl)-2-oxidanyl-4-oxidanylidene-6-(4-phenylmethoxyphenyl)hex-1-en-3-yl]carbamate Openeye Name: tert-butyl N-[(1R)-3-amino-4-(4-benzyloxyphenyl)-1-[(E)-2-cyano-1-hydroxy-2-(4-nitrophenyl)vinyl]-2-oxo-butyl]carbamate CAS Name: N-[(E,3R)-5-amino-1-cyano-2-hydroxy-1-(4-nitrophenyl)-4-oxo-6-(4-phenylmethoxyphenyl)hex-1-en-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E,3R)-5-amino-1-cyano-2-hydroxy-1-(4-nitrophenyl)-4-oxo-6-(4-phenylmethoxyphenyl)hex-1-en-3-yl]carbamate Traditional Name: N-[(E,1R)-1-[2-amino-3-(4-benzoxyphenyl)propanoyl]-3-cyano-2-hydroxy-3-(4-nitrophenyl)allyl]carbamic acid tert-butyl ester Formula: C31H32N4O7 MolecularWeight: 572.60838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)N)C(=C(C#N)C3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](C(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)N)/C(=C(\C#N)/C3=CC=C(C=C3)[N+](=O)[O-])/O

InChI

InChI=1S/C31H32N4O7/c1-31(2,3)42-30(38)34-27(28(36)25(18-32)22-11-13-23(14-12-22)35(39)40)29(37)26(33)17-20-9-15-24(16-10-20)41-19-21-7-5-4-6-8-21/h4-16,26-27,36H,17,19,33H2,1-3H3,(H,34,38)/b28-25-/t26?,27-/m1/s1