2-(2-azanylethyl)-4-[2-[(3-ethoxy-2-sulfanyl-butanoyl)amino]ethanoylamino]-3-oxidanylidene-butanoic acid

Systemtic Name: 2-(2-azanylethyl)-4-[2-[(3-ethoxy-2-sulfanyl-butanoyl)amino]ethanoylamino]-3-oxidanylidene-butanoic acid Openeye Name: 2-(2-aminoethyl)-4-[[2-[(3-ethoxy-2-sulfanyl-butanoyl)amino]acetyl]amino]-3-oxo-butanoic acid CAS Name: 2-(2-aminoethyl)-4-[[2-[(3-ethoxy-2-mercapto-1-oxobutyl)amino]-1-oxoethyl]amino]-3-oxobutanoic acid IUPAC Name: 2-(2-aminoethyl)-4-[[2-[(3-ethoxy-2-sulfanylbutanoyl)amino]acetyl]amino]-3-oxobutanoic acid Traditional Name: 2-(2-aminoethyl)-4-[[2-[(3-ethoxy-2-mercapto-butanoyl)amino]acetyl]amino]-3-keto-butyric acid Formula: C14H25N3O6S MolecularWeight: 363.4298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)C(C(=O)NCC(=O)NCC(=O)C(CCN)C(=O)O)S

Isomeric SMILES

CCOC(C)C(C(=O)NCC(=O)NCC(=O)C(CCN)C(=O)O)S

InChI

InChI=1S/C14H25N3O6S/c1-3-23-8(2)12(24)13(20)17-7-11(19)16-6-10(18)9(4-5-15)14(21)22/h8-9,12,24H,3-7,15H2,1-2H3,(H,16,19)(H,17,20)(H,21,22)