(3S)-4-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-4-oxidanylidene-3-[[(2S)-pyrrolidin-2-yl]carbonylamino]butanoic acid

Systemtic Name: (3S)-4-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-4-oxidanylidene-3-[[(2S)-pyrrolidin-2-yl]carbonylamino]butanoic acid Openeye Name: (3S)-4-(3-methoxy-3-oxo-propyl)sulfanyl-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid CAS Name: (3S)-4-[(3-methoxy-3-oxopropyl)thio]-4-oxo-3-[[oxo-[(2S)-2-pyrrolidinyl]methyl]amino]butanoic acid IUPAC Name: (3S)-4-(3-methoxy-3-oxopropyl)sulfanyl-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid Traditional Name: (3S)-4-keto-4-[(3-keto-3-methoxy-propyl)thio]-3-[[(2S)-prolyl]amino]butyric acid Formula: C13H20N2O6S MolecularWeight: 332.3727

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(=O)C(CC(=O)O)NC(=O)C1CCCN1

Isomeric SMILES

COC(=O)CCSC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1

InChI

InChI=1S/C13H20N2O6S/c1-21-11(18)4-6-22-13(20)9(7-10(16)17)15-12(19)8-3-2-5-14-8/h8-9,14H,2-7H2,1H3,(H,15,19)(H,16,17)/t8-,9-/m0/s1