tert-butyl N-[(5S)-6-azanyl-5-[2-(6-nitro-1,3-benzodioxol-5-yl)ethanoylamino]-6-oxidanylidene-hexyl]carbamate

Systemtic Name: tert-butyl N-[(5S)-6-azanyl-5-[2-(6-nitro-1,3-benzodioxol-5-yl)ethanoylamino]-6-oxidanylidene-hexyl]carbamate Openeye Name: tert-butyl N-[(5S)-6-amino-5-[[2-(6-nitro-1,3-benzodioxol-5-yl)acetyl]amino]-6-oxo-hexyl]carbamate CAS Name: N-[(5S)-6-amino-5-[[2-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoethyl]amino]-6-oxohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(5S)-6-amino-5-[[2-(6-nitro-1,3-benzodioxol-5-yl)acetyl]amino]-6-oxohexyl]carbamate Traditional Name: N-[(5S)-6-amino-6-keto-5-[[2-(6-nitro-1,3-benzodioxol-5-yl)acetyl]amino]hexyl]carbamic acid tert-butyl ester Formula: C20H28N4O8 MolecularWeight: 452.45832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(=O)N)NC(=O)CC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)N)NC(=O)CC1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C20H28N4O8/c1-20(2,3)32-19(27)22-7-5-4-6-13(18(21)26)23-17(25)9-12-8-15-16(31-11-30-15)10-14(12)24(28)29/h8,10,13H,4-7,9,11H2,1-3H3,(H2,21,26)(H,22,27)(H,23,25)/t13-/m0/s1