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

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-azanylethanoic acid; 2-azanyl-3-phenyl-propanoic acid Openeye Name: 2-aminoacetic acid; 2-amino-5-guanidino-pentanoic acid; 2-amino-3-phenyl-propanoic acid CAS Name: 2-aminoacetic acid; 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-amino-3-phenylpropanoic acid IUPAC Name: 2-aminoacetic acid; 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-amino-3-phenylpropanoic acid Traditional Name: 2-aminoacetic acid; 2-amino-5-guanidino-valeric acid; 2-amino-3-phenyl-propionic acid Formula: C35H72N18O12 MolecularWeight: 937.05958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N.C(CC(C(=O)O)N)CN=C(N)N.C(CC(C(=O)O)N)CN=C(N)N.C(CC(C(=O)O)N)CN=C(N)N.C(CC(C(=O)O)N)CN=C(N)N.C(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N.C(CC(C(=O)O)N)CN=C(N)N.C(CC(C(=O)O)N)CN=C(N)N.C(CC(C(=O)O)N)CN=C(N)N.C(CC(C(=O)O)N)CN=C(N)N.C(C(=O)O)N

InChI

InChI=1S/C9H11NO2.4C6H14N4O2.C2H5NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;4*7-4(5(11)12)2-1-3-10-6(8)9;3-1-2(4)5/h1-5,8H,6,10H2,(H,11,12);4*4H,1-3,7H2,(H,11,12)(H4,8,9,10);1,3H2,(H,4,5)