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2-[phenyl-[7-phenyl-2-(sulfanylmethyl)heptanoyl]amino]ethanoic acid

2-[phenyl-[7-phenyl-2-(sulfanylmethyl)heptanoyl]amino]ethanoic acid

Systemtic Name:2-[phenyl-[7-phenyl-2-(sulfanylmethyl)heptanoyl]amino]ethanoic acid
Openeye Name:2-(N-[7-phenyl-2-(sulfanylmethyl)heptanoyl]anilino)acetic acid
CAS Name:2-(N-[2-(mercaptomethyl)-1-oxo-7-phenylheptyl]anilino)acetic acid
IUPAC Name:2-(N-[7-phenyl-2-(sulfanylmethyl)heptanoyl]anilino)acetic acid
Traditional Name:2-(N-[2-(mercaptomethyl)-7-phenyl-heptanoyl]anilino)acetic acid
Formula: C22H27NO3S
MolecularWeight: 385.51968
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCC(CS)C(=O)N(CC(=O)O)C2=CC=CC=C2


Isomeric SMILES

C1=CC=C(C=C1)CCCCCC(CS)C(=O)N(CC(=O)O)C2=CC=CC=C2


InChI

InChI=1S/C22H27NO3S/c24-21(25)16-23(20-14-8-3-9-15-20)22(26)19(17-27)13-7-2-6-12-18-10-4-1-5-11-18/h1,3-5,8-11,14-15,19,27H,2,6-7,12-13,16-17H2,(H,24,25)


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