(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N-(phenylmethyl)propanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: (2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N-(phenylmethyl)propanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: (2S)-2-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-N-benzyl-propanamide; 2,2,2-trifluoroacetic acid CAS Name: (2S)-2-[[(2R)-2-amino-3-mercaptopropyl]amino]-N-(phenylmethyl)propanamide; 2,2,2-trifluoroacetic acid IUPAC Name: (2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-N-benzylpropanamide; 2,2,2-trifluoroacetic acid Traditional Name: (2S)-2-[[(2R)-2-amino-3-mercapto-propyl]amino]-N-benzyl-propionamide; 2,2,2-trifluoroacetic acid Formula: C15H22F3N3O3S MolecularWeight: 381.41369

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)NCC(CS)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)NC[C@H](CS)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C13H21N3OS.C2HF3O2/c1-10(15-8-12(14)9-18)13(17)16-7-11-5-3-2-4-6-11;3-2(4,5)1(6)7/h2-6,10,12,15,18H,7-9,14H2,1H3,(H,16,17);(H,6,7)/t10-,12+;/m0./s1