tert-butyl (2S)-2-[(2-nitrophenyl)sulfonylamino]-3-[[(2S)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]propanoate

Systemtic Name: tert-butyl (2S)-2-[(2-nitrophenyl)sulfonylamino]-3-[[(2S)-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]propanoate Openeye Name: tert-butyl (2S)-3-[[(1S)-2-benzyloxy-1-methyl-2-oxo-ethyl]amino]-2-[(2-nitrophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(2-nitrophenyl)sulfonylamino]-3-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2-nitrophenyl)sulfonylamino]-3-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]propanoate Traditional Name: (2S)-3-[[(1S)-2-benzoxy-2-keto-1-methyl-ethyl]amino]-2-[(2-nitrophenyl)sulfonylamino]propionic acid tert-butyl ester Formula: C23H29N3O8S MolecularWeight: 507.55666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)NCC(C(=O)OC(C)(C)C)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=CC=C1)NC[C@@H](C(=O)OC(C)(C)C)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O8S/c1-16(21(27)33-15-17-10-6-5-7-11-17)24-14-18(22(28)34-23(2,3)4)25-35(31,32)20-13-9-8-12-19(20)26(29)30/h5-13,16,18,24-25H,14-15H2,1-4H3/t16-,18-/m0/s1