3-[2-[[3-[bis(azanyl)methylideneamino]phenyl]carbonylamino]ethanoylamino]-3-(2-hydroxyphenyl)propanoic acid

Systemtic Name: 3-[2-[[3-[bis(azanyl)methylideneamino]phenyl]carbonylamino]ethanoylamino]-3-(2-hydroxyphenyl)propanoic acid Openeye Name: 3-[[2-[(3-guanidinobenzoyl)amino]acetyl]amino]-3-(2-hydroxyphenyl)propanoic acid CAS Name: 3-[[2-[[[3-(diaminomethylideneamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(2-hydroxyphenyl)propanoic acid IUPAC Name: 3-[[2-[[3-(diaminomethylideneamino)benzoyl]amino]acetyl]amino]-3-(2-hydroxyphenyl)propanoic acid Traditional Name: 3-[[2-[(3-guanidinobenzoyl)amino]acetyl]amino]-3-(2-hydroxyphenyl)propionic acid Formula: C19H21N5O5 MolecularWeight: 399.40054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O5/c20-19(21)23-12-5-3-4-11(8-12)18(29)22-10-16(26)24-14(9-17(27)28)13-6-1-2-7-15(13)25/h1-8,14,25H,9-10H2,(H,22,29)(H,24,26)(H,27,28)(H4,20,21,23)