methyl (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O3S/c1-28-21(26)17(14-15-8-3-2-4-9-15)24-22(27)25-13-7-11-18(25)20-23-16-10-5-6-12-19(16)29-20/h2-6,8-10,12,17-18H,7,11,13-14H2,1H3,(H,24,27)/t17-,18?/m0/s1