(2S)-N-tert-butyl-4-methylsulfanyl-2-[[(2S)-3-oxidanyl-2-[(phenylmethyl)amino]propanoyl]amino]butanamide

Systemtic Name: (2S)-N-tert-butyl-4-methylsulfanyl-2-[[(2S)-3-oxidanyl-2-[(phenylmethyl)amino]propanoyl]amino]butanamide Openeye Name: (2S)-2-[[(2S)-2-(benzylamino)-3-hydroxy-propanoyl]amino]-N-tert-butyl-4-methylsulfanyl-butanamide CAS Name: (2S)-N-tert-butyl-2-[[(2S)-3-hydroxy-1-oxo-2-[(phenylmethyl)amino]propyl]amino]-4-(methylthio)butanamide IUPAC Name: (2S)-2-[[(2S)-2-(benzylamino)-3-hydroxypropanoyl]amino]-N-tert-butyl-4-methylsulfanylbutanamide Traditional Name: (2S)-2-[[(2S)-2-(benzylamino)-3-hydroxy-propanoyl]amino]-N-tert-butyl-4-(methylthio)butyramide Formula: C19H31N3O3S MolecularWeight: 381.53274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(CCSC)NC(=O)C(CO)NCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NCC1=CC=CC=C1

InChI

InChI=1S/C19H31N3O3S/c1-19(2,3)22-18(25)15(10-11-26-4)21-17(24)16(13-23)20-12-14-8-6-5-7-9-14/h5-9,15-16,20,23H,10-13H2,1-4H3,(H,21,24)(H,22,25)/t15-,16-/m0/s1