4-azanyl-5-[[3-hexylsulfanyl-1-oxidanylidene-1-[(2-oxidanylidene-2-phenoxy-ethyl)amino]propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[3-hexylsulfanyl-1-oxidanylidene-1-[(2-oxidanylidene-2-phenoxy-ethyl)amino]propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[1-(hexylsulfanylmethyl)-2-oxo-2-[(2-oxo-2-phenoxy-ethyl)amino]ethyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[3-(hexylthio)-1-oxo-1-[(2-oxo-2-phenoxyethyl)amino]propan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[3-hexylsulfanyl-1-oxo-1-[(2-oxo-2-phenoxyethyl)amino]propan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[1-[(hexylthio)methyl]-2-keto-2-[(2-keto-2-phenoxy-ethyl)amino]ethyl]amino]-5-keto-valeric acid Formula: C22H33N3O6S MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSCC(C(=O)NCC(=O)OC1=CC=CC=C1)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CCCCCCSCC(C(=O)NCC(=O)OC1=CC=CC=C1)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C22H33N3O6S/c1-2-3-4-8-13-32-15-18(25-21(29)17(23)11-12-19(26)27)22(30)24-14-20(28)31-16-9-6-5-7-10-16/h5-7,9-10,17-18H,2-4,8,11-15,23H2,1H3,(H,24,30)(H,25,29)(H,26,27)