(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoic acid; N-methyl-2-[6-oxidanylidene-3-phenyl-1-(1-phenylpropan-2-yl)pyridazin-1-ium-1-yl]ethanamide

Systemtic Name: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoic acid; N-methyl-2-[6-oxidanylidene-3-phenyl-1-(1-phenylpropan-2-yl)pyridazin-1-ium-1-yl]ethanamide Openeye Name: (2S)-2-amino-5-guanidino-pentanoic acid; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid; N-methyl-2-[1-(1-methyl-2-phenyl-ethyl)-6-oxo-3-phenyl-pyridazin-1-ium-1-yl]acetamide CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]acetic acid; N-methyl-2-[6-oxo-3-phenyl-1-(1-phenylpropan-2-yl)-1-pyridazin-1-iumyl]acetamide IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid; N-methyl-2-[6-oxo-3-phenyl-1-(1-phenylpropan-2-yl)pyridazin-1-ium-1-yl]acetamide Traditional Name: (2S)-2-amino-5-guanidino-valeric acid; 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-yl]acetic acid; 2-[6-keto-1-(1-methyl-2-phenyl-ethyl)-3-phenyl-pyridazin-1-ium-1-yl]-N-methyl-acetamide Formula: C47H54ClN8O8+ MolecularWeight: 894.43346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.CC(CC1=CC=CC=C1)[N+]2(C(=O)C=CC(=N2)C3=CC=CC=C3)CC(=O)NC.C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.CC(CC1=CC=CC=C1)[N+]2(C(=O)C=CC(=N2)C3=CC=CC=C3)CC(=O)NC.C(C[C@@H](C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C22H23N3O2.C19H16ClNO4.C6H14N4O2/c1-17(15-18-9-5-3-6-10-18)25(16-21(26)23-2)22(27)14-13-20(24-25)19-11-7-4-8-12-19;1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12;7-4(5(11)12)2-1-3-10-6(8)9/h3-14,17H,15-16H2,1-2H3;3-9H,10H2,1-2H3,(H,22,23);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t;;4-/m..0/s1