S-[3-[(2S)-2-azanylpropanoyl]pyridin-2-yl] (2S)-2,5-bis(azanyl)pentanethioate

Systemtic Name: S-[3-[(2S)-2-azanylpropanoyl]pyridin-2-yl] (2S)-2,5-bis(azanyl)pentanethioate Openeye Name: S-[3-[(2S)-2-aminopropanoyl]-2-pyridyl] (2S)-2,5-diaminopentanethioate CAS Name: (2S)-2,5-diaminopentanethioic acid S-[3-[(2S)-2-amino-1-oxopropyl]-2-pyridinyl] ester IUPAC Name: S-[3-[(2S)-2-aminopropanoyl]pyridin-2-yl] (2S)-2,5-diaminopentanethioate Traditional Name: (2S)-2,5-diaminopentanethioic acid S-[3-[(2S)-2-aminopropanoyl]-2-pyridyl] ester Formula: C13H20N4O2S MolecularWeight: 296.3885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(N=CC=C1)SC(=O)C(CCCN)N)N

Isomeric SMILES

C[C@@H](C(=O)C1=C(N=CC=C1)SC(=O)[C@H](CCCN)N)N

InChI

InChI=1S/C13H20N4O2S/c1-8(15)11(18)9-4-3-7-17-12(9)20-13(19)10(16)5-2-6-14/h3-4,7-8,10H,2,5-6,14-16H2,1H3/t8-,10-/m0/s1