(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(oxidanyl)heptanoic acid

Systemtic Name: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexakis(oxidanyl)heptanoic acid Openeye Name: (2S)-2-amino-5-guanidino-pentanoic acid; (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoic acid Traditional Name: (2S)-2-amino-5-guanidino-valeric acid; (2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyenanthic acid Formula: C13H28N4O10 MolecularWeight: 400.38222

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)O)N)CN=C(N)N.C(C(C(C(C(C(C(=O)O)O)O)O)O)O)O

Isomeric SMILES

C(C[C@@H](C(=O)O)N)CN=C(N)N.C([C@H]([C@H]([C@@H]([C@H]([C@H](C(=O)O)O)O)O)O)O)O

InChI

InChI=1S/C7H14O8.C6H14N4O2/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;7-4(5(11)12)2-1-3-10-6(8)9/h2-6,8-13H,1H2,(H,14,15);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t2-,3-,4+,5-,6-;4-/m10/s1