3-[4-[bis(azanyl)methylideneamino]phenyl]-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid

Systemtic Name: 3-[4-[bis(azanyl)methylideneamino]phenyl]-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid Openeye Name: 2-(4-ethoxycarbonylpiperazin-1-yl)-3-(4-guanidinophenyl)propanoic acid CAS Name: 3-[4-(diaminomethylideneamino)phenyl]-2-(4-ethoxycarbonyl-1-piperazinyl)propanoic acid IUPAC Name: 3-[4-(diaminomethylideneamino)phenyl]-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid Traditional Name: 2-(4-carbethoxypiperazino)-3-(4-guanidinophenyl)propionic acid Formula: C17H25N5O4 MolecularWeight: 363.4115

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(CC2=CC=C(C=C2)N=C(N)N)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(CC2=CC=C(C=C2)N=C(N)N)C(=O)O

InChI

InChI=1S/C17H25N5O4/c1-2-26-17(25)22-9-7-21(8-10-22)14(15(23)24)11-12-3-5-13(6-4-12)20-16(18)19/h3-6,14H,2,7-11H2,1H3,(H,23,24)(H4,18,19,20)