4-[[1-[4-[bis(azanyl)methylideneamino]butylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]-2,2-bis(oxidanylidene)-1,3,2-dioxathiolane-4-carboxylate

Systemtic Name: 4-[[1-[4-[bis(azanyl)methylideneamino]butylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]-2,2-bis(oxidanylidene)-1,3,2-dioxathiolane-4-carboxylate Openeye Name: 4-[[1-(4-guanidinobutylcarbamoyl)-3-methyl-butyl]carbamoyl]-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate CAS Name: 4-[[[1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate IUPAC Name: 4-[[1-[4-(diaminomethylideneamino)butylamino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylate Traditional Name: 4-[[1-(4-guanidinobutylcarbamoyl)-3-methyl-butyl]carbamoyl]-2,2-diketo-1,3,2-dioxathiolane-4-carboxylate Formula: C15H26N5O8S- MolecularWeight: 436.46064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCCN=C(N)N)NC(=O)C1(COS(=O)(=O)O1)C(=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)NCCCCN=C(N)N)NC(=O)C1(COS(=O)(=O)O1)C(=O)[O-]

InChI

InChI=1S/C15H27N5O8S/c1-9(2)7-10(11(21)18-5-3-4-6-19-14(16)17)20-12(22)15(13(23)24)8-27-29(25,26)28-15/h9-10H,3-8H2,1-2H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/p-1