methyl (2S)-3-[4-(4,5-dihydro-1,3-thiazol-2-yl)phenyl]-2-[[(2S)-3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]propanoate

Systemtic Name: methyl (2S)-3-[4-(4,5-dihydro-1,3-thiazol-2-yl)phenyl]-2-[[(2S)-3-phenyl-2-(phenylcarbonylsulfanylmethyl)propanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-(benzoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-3-[4-(4,5-dihydrothiazol-2-yl)phenyl]propanoate CAS Name: (2S)-2-[[(2S)-2-[(benzoylthio)methyl]-1-oxo-3-phenylpropyl]amino]-3-[4-(4,5-dihydrothiazol-2-yl)phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-(benzoylsulfanylmethyl)-3-phenylpropanoyl]amino]-3-[4-(4,5-dihydro-1,3-thiazol-2-yl)phenyl]propanoate Traditional Name: (2S)-2-[[(2S)-2-[(benzoylthio)methyl]-3-phenyl-propanoyl]amino]-3-[4-(2-thiazolin-2-yl)phenyl]propionic acid methyl ester Formula: C30H30N2O4S2 MolecularWeight: 546.7002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)C2=NCCS2)NC(=O)C(CC3=CC=CC=C3)CSC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)C2=NCCS2)NC(=O)[C@H](CC3=CC=CC=C3)CSC(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H30N2O4S2/c1-36-29(34)26(19-22-12-14-23(15-13-22)28-31-16-17-37-28)32-27(33)25(18-21-8-4-2-5-9-21)20-38-30(35)24-10-6-3-7-11-24/h2-15,25-26H,16-20H2,1H3,(H,32,33)/t25-,26+/m1/s1