2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; (2S)-2-methoxy-3-[4-[3-(4-methylsulfonyloxyphenyl)propylamino]phenyl]propanoic acid

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; (2S)-2-methoxy-3-[4-[3-(4-methylsulfonyloxyphenyl)propylamino]phenyl]propanoic acid Openeye Name: 2-amino-5-guanidino-pentanoic acid; (2S)-2-methoxy-3-[4-[3-(4-methylsulfonyloxyphenyl)propylamino]phenyl]propanoic acid CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; (2S)-2-methoxy-3-[4-[3-(4-methylsulfonyloxyphenyl)propylamino]phenyl]propanoic acid IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; (2S)-2-methoxy-3-[4-[3-(4-methylsulfonyloxyphenyl)propylamino]phenyl]propanoic acid Traditional Name: 2-amino-5-guanidino-valeric acid; (2S)-2-methoxy-3-[4-[3-(4-methylsulfonyloxyphenyl)propylamino]phenyl]propionic acid Formula: C26H39N5O8S MolecularWeight: 581.68156

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=C(C=C1)NCCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

CO[C@@H](CC1=CC=C(C=C1)NCCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O.C(CC(C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C20H25NO6S.C6H14N4O2/c1-26-19(20(22)23)14-16-5-9-17(10-6-16)21-13-3-4-15-7-11-18(12-8-15)27-28(2,24)25;7-4(5(11)12)2-1-3-10-6(8)9/h5-12,19,21H,3-4,13-14H2,1-2H3,(H,22,23);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t19-;/m0./s1