tert-butyl 2-[2-[[3-(chloranylamino)-2-oxidanyl-hexanoyl]amino]ethanoylamino]-2-phenyl-ethanoate

Systemtic Name: tert-butyl 2-[2-[[3-(chloranylamino)-2-oxidanyl-hexanoyl]amino]ethanoylamino]-2-phenyl-ethanoate Openeye Name: tert-butyl 2-[[2-[[3-(chloroamino)-2-hydroxy-hexanoyl]amino]acetyl]amino]-2-phenyl-acetate CAS Name: 2-[[2-[[3-(chloroamino)-2-hydroxy-1-oxohexyl]amino]-1-oxoethyl]amino]-2-phenylacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[[3-(chloroamino)-2-hydroxyhexanoyl]amino]acetyl]amino]-2-phenylacetate Traditional Name: 2-[[2-[[3-(chloroamino)-2-hydroxy-hexanoyl]amino]acetyl]amino]-2-phenyl-acetic acid tert-butyl ester Formula: C20H30ClN3O5 MolecularWeight: 427.9223

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)OC(C)(C)C)O)NCl

Isomeric SMILES

CCCC(C(C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)OC(C)(C)C)O)NCl

InChI

InChI=1S/C20H30ClN3O5/c1-5-9-14(24-21)17(26)18(27)22-12-15(25)23-16(13-10-7-6-8-11-13)19(28)29-20(2,3)4/h6-8,10-11,14,16-17,24,26H,5,9,12H2,1-4H3,(H,22,27)(H,23,25)