3-[3-[[3-[bis(azanyl)methylideneamino]phenyl]sulfonylamino]phenyl]-3-(2-phenylbutanoylamino)propanoic acid

Systemtic Name: 3-[3-[[3-[bis(azanyl)methylideneamino]phenyl]sulfonylamino]phenyl]-3-(2-phenylbutanoylamino)propanoic acid Openeye Name: 3-[3-[(3-guanidinophenyl)sulfonylamino]phenyl]-3-(2-phenylbutanoylamino)propanoic acid CAS Name: 3-[3-[[3-(diaminomethylideneamino)phenyl]sulfonylamino]phenyl]-3-[(1-oxo-2-phenylbutyl)amino]propanoic acid IUPAC Name: 3-[3-[[3-(diaminomethylideneamino)phenyl]sulfonylamino]phenyl]-3-(2-phenylbutanoylamino)propanoic acid Traditional Name: 3-[3-[(3-guanidinophenyl)sulfonylamino]phenyl]-3-(2-phenylbutanoylamino)propionic acid Formula: C26H29N5O5S MolecularWeight: 523.60396

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC(CC(=O)O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)N=C(N)N

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC(CC(=O)O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)N=C(N)N

InChI

InChI=1S/C26H29N5O5S/c1-2-22(17-8-4-3-5-9-17)25(34)30-23(16-24(32)33)18-10-6-12-20(14-18)31-37(35,36)21-13-7-11-19(15-21)29-26(27)28/h3-15,22-23,31H,2,16H2,1H3,(H,30,34)(H,32,33)(H4,27,28,29)