3-phenyl-3-[4-[[3-[[N'-(phenylmethyl)carbamimidoyl]amino]phenyl]carbonylamino]phenyl]sulfanyl-propanoic acid

Systemtic Name: 3-phenyl-3-[4-[[3-[[N'-(phenylmethyl)carbamimidoyl]amino]phenyl]carbonylamino]phenyl]sulfanyl-propanoic acid Openeye Name: 3-[4-[[3-[(N'-benzylcarbamimidoyl)amino]benzoyl]amino]phenyl]sulfanyl-3-phenyl-propanoic acid CAS Name: 3-[[4-[[[3-[[amino-(phenylmethyl)iminomethyl]amino]phenyl]-oxomethyl]amino]phenyl]thio]-3-phenylpropanoic acid IUPAC Name: 3-[4-[[3-[(N'-benzylcarbamimidoyl)amino]benzoyl]amino]phenyl]sulfanyl-3-phenylpropanoic acid Traditional Name: 3-[[4-[[3-[(N'-benzylamidino)amino]benzoyl]amino]phenyl]thio]-3-phenyl-propionic acid Formula: C30H28N4O3S MolecularWeight: 524.63332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN=C(N)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)SC(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN=C(N)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)SC(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C30H28N4O3S/c31-30(32-20-21-8-3-1-4-9-21)34-25-13-7-12-23(18-25)29(37)33-24-14-16-26(17-15-24)38-27(19-28(35)36)22-10-5-2-6-11-22/h1-18,27H,19-20H2,(H,33,37)(H,35,36)(H3,31,32,34)