(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N-[(4-methoxyphenyl)methyl]-3-methyl-pentanamide

Systemtic Name: (2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N-[(4-methoxyphenyl)methyl]-3-methyl-pentanamide Openeye Name: (2S)-2-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-N-[(4-methoxyphenyl)methyl]-3-methyl-pentanamide CAS Name: (2S)-2-[[(2R)-2-amino-3-mercaptopropyl]amino]-N-[(4-methoxyphenyl)methyl]-3-methylpentanamide IUPAC Name: (2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-N-[(4-methoxyphenyl)methyl]-3-methylpentanamide Traditional Name: (2S)-2-[[(2R)-2-amino-3-mercapto-propyl]amino]-3-methyl-N-p-anisyl-valeramide Formula: C17H29N3O2S MolecularWeight: 339.49606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=CC=C(C=C1)OC)NCC(CS)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)OC)NC[C@H](CS)N

InChI

InChI=1S/C17H29N3O2S/c1-4-12(2)16(19-10-14(18)11-23)17(21)20-9-13-5-7-15(22-3)8-6-13/h5-8,12,14,16,19,23H,4,9-11,18H2,1-3H3,(H,20,21)/t12?,14-,16+/m1/s1