(2S)-2-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]-3-pyridin-3-yl-propanamide

Systemtic Name: (2S)-2-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]-3-pyridin-3-yl-propanamide Openeye Name: (2S)-2-[[(2R)-2-acetamido-3-sulfanyl-propanoyl]amino]-3-(3-pyridyl)propanamide CAS Name: (2S)-2-[[(2R)-2-acetamido-3-mercapto-1-oxopropyl]amino]-3-(3-pyridinyl)propanamide IUPAC Name: (2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-3-pyridin-3-ylpropanamide Traditional Name: (2S)-2-[[(2R)-2-acetamido-3-mercapto-propanoyl]amino]-3-(3-pyridyl)propionamide Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)C(=O)NC(CC1=CN=CC=C1)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O3S/c1-8(18)16-11(7-21)13(20)17-10(12(14)19)5-9-3-2-4-15-6-9/h2-4,6,10-11,21H,5,7H2,1H3,(H2,14,19)(H,16,18)(H,17,20)/t10-,11-/m0/s1