tert-butyl 2-[[(2S,3R)-3-azido-3-methyl-2-[(2-nitrophenyl)sulfonylamino]pent-4-ynoyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[(2S,3R)-3-azido-3-methyl-2-[(2-nitrophenyl)sulfonylamino]pent-4-ynoyl]amino]ethanoate Openeye Name: tert-butyl 2-[[(2S,3R)-3-azido-3-methyl-2-[(2-nitrophenyl)sulfonylamino]pent-4-ynoyl]amino]acetate CAS Name: 2-[[(2S,3R)-3-azido-3-methyl-2-[(2-nitrophenyl)sulfonylamino]-1-oxopent-4-ynyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(2S,3R)-3-azido-3-methyl-2-[(2-nitrophenyl)sulfonylamino]pent-4-ynoyl]amino]acetate Traditional Name: 2-[[(2S,3R)-3-azido-3-methyl-2-[(2-nitrophenyl)sulfonylamino]pent-4-ynoyl]amino]acetic acid tert-butyl ester Formula: C18H22N6O7S MolecularWeight: 466.46828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC(=O)C(C(C)(C#C)N=[N+]=[N-])NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

C[C@@](C#C)([C@@H](C(=O)NCC(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])N=[N+]=[N-]

InChI

InChI=1S/C18H22N6O7S/c1-6-18(5,22-23-19)15(16(26)20-11-14(25)31-17(2,3)4)21-32(29,30)13-10-8-7-9-12(13)24(27)28/h1,7-10,15,21H,11H2,2-5H3,(H,20,26)/t15-,18-/m1/s1