(2S)-2-[3-[(2S)-5-oxidanylidene-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanoylamino]-3-phenyl-propanamide

Systemtic Name: (2S)-2-[3-[(2S)-5-oxidanylidene-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanoylamino]-3-phenyl-propanamide Openeye Name: (2S)-2-[3-[(2S)-5-oxo-2-(2-thienylmethyl)pyrrolidin-2-yl]propanoylamino]-3-phenyl-propanamide CAS Name: (2S)-2-[[1-oxo-3-[(2S)-5-oxo-2-(thiophen-2-ylmethyl)-2-pyrrolidinyl]propyl]amino]-3-phenylpropanamide IUPAC Name: (2S)-2-[3-[(2S)-5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanoylamino]-3-phenylpropanamide Traditional Name: (2S)-2-[3-[(2S)-5-keto-2-(2-thenyl)pyrrolidin-2-yl]propanoylamino]-3-phenyl-propionamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1=O)(CCC(=O)NC(CC2=CC=CC=C2)C(=O)N)CC3=CC=CS3

Isomeric SMILES

C1C[C@](NC1=O)(CCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N)CC3=CC=CS3

InChI

InChI=1S/C21H25N3O3S/c22-20(27)17(13-15-5-2-1-3-6-15)23-18(25)8-10-21(11-9-19(26)24-21)14-16-7-4-12-28-16/h1-7,12,17H,8-11,13-14H2,(H2,22,27)(H,23,25)(H,24,26)/t17-,21+/m0/s1