2-[[3-[[4-[bis(azanyl)methylideneamino]phenyl]carbonylamino]propyl-(carboxymethyl)carbamoyl]amino]-2-phenyl-ethanoic acid

Systemtic Name: 2-[[3-[[4-[bis(azanyl)methylideneamino]phenyl]carbonylamino]propyl-(carboxymethyl)carbamoyl]amino]-2-phenyl-ethanoic acid Openeye Name: 2-[[carboxymethyl-[3-[(4-guanidinobenzoyl)amino]propyl]carbamoyl]amino]-2-phenyl-acetic acid CAS Name: 2-[[[carboxymethyl-[3-[[[4-(diaminomethylideneamino)phenyl]-oxomethyl]amino]propyl]amino]-oxomethyl]amino]-2-phenylacetic acid IUPAC Name: 2-[[carboxymethyl-[3-[[4-(diaminomethylideneamino)benzoyl]amino]propyl]carbamoyl]amino]-2-phenylacetic acid Traditional Name: 2-[[carboxymethyl-[3-[(4-guanidinobenzoyl)amino]propyl]carbamoyl]amino]-2-phenyl-acetic acid Formula: C22H26N6O6 MolecularWeight: 470.47844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)NC(=O)N(CCCNC(=O)C2=CC=C(C=C2)N=C(N)N)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)NC(=O)N(CCCNC(=O)C2=CC=C(C=C2)N=C(N)N)CC(=O)O

InChI

InChI=1S/C22H26N6O6/c23-21(24)26-16-9-7-15(8-10-16)19(31)25-11-4-12-28(13-17(29)30)22(34)27-18(20(32)33)14-5-2-1-3-6-14/h1-3,5-10,18H,4,11-13H2,(H,25,31)(H,27,34)(H,29,30)(H,32,33)(H4,23,24,26)