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

Systemtic Name: (2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-3-methyl-N-(3-phenylpropyl)pentanamide Openeye Name: (2S)-2-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-3-methyl-N-(3-phenylpropyl)pentanamide CAS Name: (2S)-2-[[(2R)-2-amino-3-mercaptopropyl]amino]-3-methyl-N-(3-phenylpropyl)pentanamide IUPAC Name: (2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methyl-N-(3-phenylpropyl)pentanamide Traditional Name: (2S)-2-[[(2R)-2-amino-3-mercapto-propyl]amino]-3-methyl-N-(3-phenylpropyl)valeramide Formula: C18H31N3OS MolecularWeight: 337.52324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCCC1=CC=CC=C1)NCC(CS)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)NCCCC1=CC=CC=C1)NC[C@H](CS)N

InChI

InChI=1S/C18H31N3OS/c1-3-14(2)17(21-12-16(19)13-23)18(22)20-11-7-10-15-8-5-4-6-9-15/h4-6,8-9,14,16-17,21,23H,3,7,10-13,19H2,1-2H3,(H,20,22)/t14?,16-,17+/m1/s1