(2R)-2-[[2-[(4-ethenylphenyl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-[(4-ethenylphenyl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-3-phenyl-2-[[4-sulfanyl-2-[(4-vinylbenzoyl)amino]butanoyl]amino]propanoic acid CAS Name: (2R)-2-[[2-[[(4-ethenylphenyl)-oxomethyl]amino]-4-mercapto-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[(4-ethenylbenzoyl)amino]-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[4-mercapto-2-[(4-vinylbenzoyl)amino]butanoyl]amino]-3-phenyl-propionic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC=C(C=C1)C(=O)NC(CCS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C=CC1=CC=C(C=C1)C(=O)NC(CCS)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H24N2O4S/c1-2-15-8-10-17(11-9-15)20(25)23-18(12-13-29)21(26)24-19(22(27)28)14-16-6-4-3-5-7-16/h2-11,18-19,29H,1,12-14H2,(H,23,25)(H,24,26)(H,27,28)/t18?,19-/m1/s1