2-azanyl-3-(4-hydroxyphenyl)propanoic acid; methyl 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; methyl 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoate Openeye Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; methyl 2-amino-5-guanidino-pentanoate CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid methyl ester; 2-amino-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; methyl 2-amino-5-(diaminomethylideneamino)pentanoate Traditional Name: 2-amino-5-guanidino-valeric acid methyl ester; 2-amino-3-(4-hydroxyphenyl)propionic acid Formula: C16H27N5O5 MolecularWeight: 369.41608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCN=C(N)N)N.C1=CC(=CC=C1CC(C(=O)O)N)O

Isomeric SMILES

COC(=O)C(CCCN=C(N)N)N.C1=CC(=CC=C1CC(C(=O)O)N)O

InChI

InChI=1S/C9H11NO3.C7H16N4O2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-13-6(12)5(8)3-2-4-11-7(9)10/h1-4,8,11H,5,10H2,(H,12,13);5H,2-4,8H2,1H3,(H4,9,10,11)