2-[[(2R)-2-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoyl]-propan-2-yl-amino]ethanoate

Systemtic Name: 2-[[(2R)-2-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoyl]-propan-2-yl-amino]ethanoate Openeye Name: 2-[[(2R)-2-[[(4S)-4-amino-5-hydroxy-5-oxo-pentanoyl]amino]-3-sulfanyl-propanoyl]-isopropyl-amino]acetate CAS Name: 2-[[(2R)-2-[[(4S)-4-amino-5-hydroxy-1,5-dioxopentyl]amino]-3-mercapto-1-oxopropyl]-propan-2-ylamino]acetate IUPAC Name: 2-[[(2R)-2-[[(4S)-4-amino-5-hydroxy-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]-propan-2-ylamino]acetate Traditional Name: 2-[[(2R)-2-[[(4S)-4-amino-5-hydroxy-5-keto-pentanoyl]amino]-3-mercapto-propanoyl]-isopropyl-amino]acetate Formula: C13H22N3O6S- MolecularWeight: 348.39528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)[O-])C(=O)C(CS)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

CC(C)N(CC(=O)[O-])C(=O)[C@H](CS)NC(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C13H23N3O6S/c1-7(2)16(5-11(18)19)12(20)9(6-23)15-10(17)4-3-8(14)13(21)22/h7-9,23H,3-6,14H2,1-2H3,(H,15,17)(H,18,19)(H,21,22)/p-1/t8-,9-/m0/s1