(2S)-5-[bis(azanyl)methylideneamino]-2-(phenoxathiin-2-ylsulfonylamino)pentanoic acid

Systemtic Name: (2S)-5-[bis(azanyl)methylideneamino]-2-(phenoxathiin-2-ylsulfonylamino)pentanoic acid Openeye Name: (2S)-5-guanidino-2-(phenoxathiin-2-ylsulfonylamino)pentanoic acid CAS Name: (2S)-5-(diaminomethylideneamino)-2-(2-phenoxathiinylsulfonylamino)pentanoic acid IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-(phenoxathiin-2-ylsulfonylamino)pentanoic acid Traditional Name: (2S)-5-guanidino-2-(phenoxathiin-2-ylsulfonylamino)valeric acid Formula: C18H20N4O5S2 MolecularWeight: 436.5052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)S(=O)(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C18H20N4O5S2/c19-18(20)21-9-3-4-12(17(23)24)22-29(25,26)11-7-8-14-16(10-11)28-15-6-2-1-5-13(15)27-14/h1-2,5-8,10,12,22H,3-4,9H2,(H,23,24)(H4,19,20,21)/t12-/m0/s1