2-azanyl-5-[bis(azanyl)methylideneamino]-2-[2-(4-phenylmethoxyphenoxy)ethanoyl]pentanoic acid

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]-2-[2-(4-phenylmethoxyphenoxy)ethanoyl]pentanoic acid Openeye Name: 2-amino-2-[2-(4-benzyloxyphenoxy)acetyl]-5-guanidino-pentanoic acid CAS Name: 2-amino-5-(diaminomethylideneamino)-2-[1-oxo-2-(4-phenylmethoxyphenoxy)ethyl]pentanoic acid IUPAC Name: 2-amino-5-(diaminomethylideneamino)-2-[2-(4-phenylmethoxyphenoxy)acetyl]pentanoic acid Traditional Name: 2-amino-2-[2-(4-benzoxyphenoxy)acetyl]-5-guanidino-valeric acid Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCC(=O)C(CCCN=C(N)N)(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCC(=O)C(CCCN=C(N)N)(C(=O)O)N

InChI

InChI=1S/C21H26N4O5/c22-20(23)25-12-4-11-21(24,19(27)28)18(26)14-30-17-9-7-16(8-10-17)29-13-15-5-2-1-3-6-15/h1-3,5-10H,4,11-14,24H2,(H,27,28)(H4,22,23,25)