2-[[(2S)-2-(2-phenoxyethanoylamino)-3-phenyl-propanoyl]amino]-4-sulfanyl-butanoic acid

Systemtic Name: 2-[[(2S)-2-(2-phenoxyethanoylamino)-3-phenyl-propanoyl]amino]-4-sulfanyl-butanoic acid Openeye Name: 2-[[(2S)-2-[(2-phenoxyacetyl)amino]-3-phenyl-propanoyl]amino]-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-[[(2S)-1-oxo-2-[(1-oxo-2-phenoxyethyl)amino]-3-phenylpropyl]amino]butanoic acid IUPAC Name: 2-[[(2S)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoyl]amino]-4-sulfanylbutanoic acid Traditional Name: 4-mercapto-2-[[(2S)-2-[(2-phenoxyacetyl)amino]-3-phenyl-propanoyl]amino]butyric acid Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCS)C(=O)O)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NC(CCS)C(=O)O)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O5S/c24-19(14-28-16-9-5-2-6-10-16)22-18(13-15-7-3-1-4-8-15)20(25)23-17(11-12-29)21(26)27/h1-10,17-18,29H,11-14H2,(H,22,24)(H,23,25)(H,26,27)/t17?,18-/m0/s1