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

Systemtic Name: 3-[4-[[3-[[N'-(phenylmethyl)carbamimidoyl]amino]phenyl]carbonylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[4-[[3-[(N'-benzylcarbamimidoyl)amino]benzoyl]amino]phenyl]sulfanyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[4-[[[3-[[amino-(phenylmethyl)iminomethyl]amino]phenyl]-oxomethyl]amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[4-[[3-[(N'-benzylcarbamimidoyl)amino]benzoyl]amino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-[[3-[(N'-benzylamidino)amino]benzoyl]amino]phenyl]thio]-3-(3-pyridyl)propionic acid Formula: C29H27N5O3S MolecularWeight: 525.62138

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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=CN=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=CN=CC=C4

InChI

InChI=1S/C29H27N5O3S/c30-29(32-18-20-6-2-1-3-7-20)34-24-10-4-8-21(16-24)28(37)33-23-11-13-25(14-12-23)38-26(17-27(35)36)22-9-5-15-31-19-22/h1-16,19,26H,17-18H2,(H,33,37)(H,35,36)(H3,30,32,34)