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

Systemtic Name: (2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-3-methyl-N-phenethyl-pentanamide Openeye Name: (2S)-2-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-3-methyl-N-phenethyl-pentanamide CAS Name: (2S)-2-[[(2R)-2-amino-3-mercaptopropyl]amino]-3-methyl-N-phenethylpentanamide IUPAC Name: (2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methyl-N-phenethylpentanamide Traditional Name: (2S)-2-[[(2R)-2-amino-3-mercapto-propyl]amino]-3-methyl-N-phenethyl-valeramide Formula: C17H29N3OS MolecularWeight: 323.49666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCC1=CC=CC=C1)NCC(CS)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)NCCC1=CC=CC=C1)NC[C@H](CS)N

InChI

InChI=1S/C17H29N3OS/c1-3-13(2)16(20-11-15(18)12-22)17(21)19-10-9-14-7-5-4-6-8-14/h4-8,13,15-16,20,22H,3,9-12,18H2,1-2H3,(H,19,21)/t13?,15-,16+/m1/s1