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2-azanyl-3-[3-[3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]phenyl]propanoic acid

2-azanyl-3-[3-[3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]phenyl]propanoic acid

Systemtic Name:2-azanyl-3-[3-[3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]phenyl]propanoic acid
Openeye Name:2-amino-3-[3-[3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]phenyl]propanoic acid
CAS Name:2-amino-3-[3-[3-[(6-methoxy-1H-benzimidazol-2-yl)thio]phenyl]phenyl]propanoic acid
IUPAC Name:2-amino-3-[3-[3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]phenyl]propanoic acid
Traditional Name:2-amino-3-[3-[3-[(6-methoxy-1H-benzimidazol-2-yl)thio]phenyl]phenyl]propionic acid
Formula: C23H21N3O3S
MolecularWeight: 419.49614
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SC3=CC=CC(=C3)C4=CC(=CC=C4)CC(C(=O)O)N


Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SC3=CC=CC(=C3)C4=CC(=CC=C4)CC(C(=O)O)N


InChI

InChI=1S/C23H21N3O3S/c1-29-17-8-9-20-21(13-17)26-23(25-20)30-18-7-3-6-16(12-18)15-5-2-4-14(10-15)11-19(24)22(27)28/h2-10,12-13,19H,11,24H2,1H3,(H,25,26)(H,27,28)


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