2-azanyl-5-[[3-heptan-2-ylsulfanyl-1-oxidanylidene-1-(2H-1,2,3,4-tetrazol-5-ylmethylamino)propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[3-heptan-2-ylsulfanyl-1-oxidanylidene-1-(2H-1,2,3,4-tetrazol-5-ylmethylamino)propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[1-(1-methylhexylsulfanylmethyl)-2-oxo-2-(2H-tetrazol-5-ylmethylamino)ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[3-(heptan-2-ylthio)-1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[3-heptan-2-ylsulfanyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)propan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-keto-5-[[2-keto-1-[(1-methylhexylthio)methyl]-2-(2H-tetrazol-5-ylmethylamino)ethyl]amino]valeric acid Formula: C17H31N7O4S MolecularWeight: 429.53754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)SCC(C(=O)NCC1=NNN=N1)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

CCCCCC(C)SCC(C(=O)NCC1=NNN=N1)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C17H31N7O4S/c1-3-4-5-6-11(2)29-10-13(16(26)19-9-14-21-23-24-22-14)20-15(25)8-7-12(18)17(27)28/h11-13H,3-10,18H2,1-2H3,(H,19,26)(H,20,25)(H,27,28)(H,21,22,23,24)