(2S)-2-[[(2S)-2-azanylpropanethioyl]amino]-3-phenylmethoxy-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-azanylpropanethioyl]amino]-3-phenylmethoxy-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-aminopropanethioyl]amino]-3-benzyloxy-propanoic acid CAS Name: (2S)-2-[[(2S)-2-amino-1-sulfanylidenepropyl]amino]-3-phenylmethoxypropanoic acid IUPAC Name: (2S)-2-[[(2S)-2-aminopropanethioyl]amino]-3-phenylmethoxypropanoic acid Traditional Name: (2S)-2-[[(2S)-2-aminopropanethioyl]amino]-3-benzoxy-propionic acid Formula: C13H18N2O3S MolecularWeight: 282.35862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=S)NC(COCC1=CC=CC=C1)C(=O)O)N

Isomeric SMILES

C[C@@H](C(=S)N[C@@H](COCC1=CC=CC=C1)C(=O)O)N

InChI

InChI=1S/C13H18N2O3S/c1-9(14)12(19)15-11(13(16)17)8-18-7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,14H2,1H3,(H,15,19)(H,16,17)/t9-,11-/m0/s1