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

Systemtic Name: (2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N-butyl-3-methyl-N-(phenylmethyl)pentanamide Openeye Name: (2S)-2-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-N-benzyl-N-butyl-3-methyl-pentanamide CAS Name: (2S)-2-[[(2R)-2-amino-3-mercaptopropyl]amino]-N-butyl-3-methyl-N-(phenylmethyl)pentanamide IUPAC Name: (2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-N-benzyl-N-butyl-3-methylpentanamide Traditional Name: (2S)-2-[[(2R)-2-amino-3-mercapto-propyl]amino]-N-benzyl-N-butyl-3-methyl-valeramide Formula: C20H35N3OS MolecularWeight: 365.5764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=O)C(C(C)CC)NCC(CS)N

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=O)[C@H](C(C)CC)NC[C@H](CS)N

InChI

InChI=1S/C20H35N3OS/c1-4-6-12-23(14-17-10-8-7-9-11-17)20(24)19(16(3)5-2)22-13-18(21)15-25/h7-11,16,18-19,22,25H,4-6,12-15,21H2,1-3H3/t16?,18-,19+/m1/s1