2-[(9-ethylcarbazol-3-yl)-[4-phenyl-2-(sulfanylmethyl)butanoyl]amino]ethanoic acid

Systemtic Name: 2-[(9-ethylcarbazol-3-yl)-[4-phenyl-2-(sulfanylmethyl)butanoyl]amino]ethanoic acid Openeye Name: 2-[(9-ethylcarbazol-3-yl)-[4-phenyl-2-(sulfanylmethyl)butanoyl]amino]acetic acid CAS Name: 2-[(9-ethyl-3-carbazolyl)-[2-(mercaptomethyl)-1-oxo-4-phenylbutyl]amino]acetic acid IUPAC Name: 2-[(9-ethylcarbazol-3-yl)-[4-phenyl-2-(sulfanylmethyl)butanoyl]amino]acetic acid Traditional Name: 2-[(9-ethylcarbazol-3-yl)-[2-(mercaptomethyl)-4-phenyl-butanoyl]amino]acetic acid Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)N(CC(=O)O)C(=O)C(CCC3=CC=CC=C3)CS)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)N(CC(=O)O)C(=O)C(CCC3=CC=CC=C3)CS)C4=CC=CC=C41

InChI

InChI=1S/C27H28N2O3S/c1-2-28-24-11-7-6-10-22(24)23-16-21(14-15-25(23)28)29(17-26(30)31)27(32)20(18-33)13-12-19-8-4-3-5-9-19/h3-11,14-16,20,33H,2,12-13,17-18H2,1H3,(H,30,31)