2-[[(2R)-2-[[(4S)-4-azanyl-5-ethoxy-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2R)-2-[[(4S)-4-azanyl-5-ethoxy-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2R)-2-[[(4S)-4-amino-5-ethoxy-5-oxo-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]acetic acid CAS Name: 2-[[(2R)-2-[[(4S)-4-amino-5-ethoxy-1,5-dioxopentyl]amino]-3-mercapto-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[(2R)-2-[[(4S)-4-amino-5-ethoxy-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]acetic acid Traditional Name: 2-[[(2R)-2-[[(4S)-4-amino-5-ethoxy-5-keto-pentanoyl]amino]-3-mercapto-propanoyl]amino]acetic acid Formula: C12H21N3O6S MolecularWeight: 335.37664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=O)NC(CS)C(=O)NCC(=O)O)N

Isomeric SMILES

CCOC(=O)[C@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)N

InChI

InChI=1S/C12H21N3O6S/c1-2-21-12(20)7(13)3-4-9(16)15-8(6-22)11(19)14-5-10(17)18/h7-8,22H,2-6,13H2,1H3,(H,14,19)(H,15,16)(H,17,18)/t7-,8-/m0/s1