(2R)-2-azanyl-N-[(2S)-3-methyl-1-(phenethylamino)pentan-2-yl]-3-sulfanyl-propanamide

Systemtic Name: (2R)-2-azanyl-N-[(2S)-3-methyl-1-(phenethylamino)pentan-2-yl]-3-sulfanyl-propanamide Openeye Name: (2R)-2-amino-N-[(1S)-2-methyl-1-[(phenethylamino)methyl]butyl]-3-sulfanyl-propanamide CAS Name: (2R)-2-amino-3-mercapto-N-[(2S)-3-methyl-1-(phenethylamino)pentan-2-yl]propanamide IUPAC Name: (2R)-2-amino-N-[(2S)-3-methyl-1-(phenethylamino)pentan-2-yl]-3-sulfanylpropanamide Traditional Name: (2R)-2-amino-3-mercapto-N-[(1S)-2-methyl-1-[(phenethylamino)methyl]butyl]propionamide Formula: C17H29N3OS MolecularWeight: 323.49666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CNCCC1=CC=CC=C1)NC(=O)C(CS)N

Isomeric SMILES

CCC(C)[C@@H](CNCCC1=CC=CC=C1)NC(=O)[C@H](CS)N

InChI

InChI=1S/C17H29N3OS/c1-3-13(2)16(20-17(21)15(18)12-22)11-19-10-9-14-7-5-4-6-8-14/h4-8,13,15-16,19,22H,3,9-12,18H2,1-2H3,(H,20,21)/t13?,15-,16+/m0/s1