2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-[(2-nitrophenyl)sulfanylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-[(2-nitrophenyl)sulfanylamino]-3-phenyl-propanoic acid Openeye Name: 2-amino-5-guanidino-pentanoic acid; 2-[(2-nitrophenyl)sulfanylamino]-3-phenyl-propanoic acid CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-[[(2-nitrophenyl)thio]amino]-3-phenylpropanoic acid IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-[(2-nitrophenyl)sulfanylamino]-3-phenylpropanoic acid Traditional Name: 2-amino-5-guanidino-valeric acid; 2-[[(2-nitrophenyl)thio]amino]-3-phenyl-propionic acid Formula: C21H28N6O6S MolecularWeight: 492.54862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NSC2=CC=CC=C2[N+](=O)[O-].C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NSC2=CC=CC=C2[N+](=O)[O-].C(CC(C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C15H14N2O4S.C6H14N4O2/c18-15(19)12(10-11-6-2-1-3-7-11)16-22-14-9-5-4-8-13(14)17(20)21;7-4(5(11)12)2-1-3-10-6(8)9/h1-9,12,16H,10H2,(H,18,19);4H,1-3,7H2,(H,11,12)(H4,8,9,10)