tert-butyl N-[(5S,6S)-5-azido-6-oxidanyl-7-oxidanylidene-7-phenylazanyl-heptyl]carbamate

Systemtic Name: tert-butyl N-[(5S,6S)-5-azido-6-oxidanyl-7-oxidanylidene-7-phenylazanyl-heptyl]carbamate Openeye Name: tert-butyl N-[(5S,6S)-7-anilino-5-azido-6-hydroxy-7-oxo-heptyl]carbamate CAS Name: N-[(5S,6S)-7-anilino-5-azido-6-hydroxy-7-oxoheptyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(5S,6S)-7-anilino-5-azido-6-hydroxy-7-oxoheptyl]carbamate Traditional Name: N-[(5S,6S)-7-anilino-5-azido-6-hydroxy-7-keto-heptyl]carbamic acid tert-butyl ester Formula: C18H27N5O4 MolecularWeight: 377.43808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(C(=O)NC1=CC=CC=C1)O)N=[N+]=[N-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H]([C@@H](C(=O)NC1=CC=CC=C1)O)N=[N+]=[N-]

InChI

InChI=1S/C18H27N5O4/c1-18(2,3)27-17(26)20-12-8-7-11-14(22-23-19)15(24)16(25)21-13-9-5-4-6-10-13/h4-6,9-10,14-15,24H,7-8,11-12H2,1-3H3,(H,20,26)(H,21,25)/t14-,15-/m0/s1