(2S)-3-[4-[1,3-diethoxy-1,3-bis(oxidanylidene)propan-2-yl]oxyphenyl]-2-[(4-methoxy-4-oxidanylidene-butanoyl)amino]propanoic acid

Systemtic Name: (2S)-3-[4-[1,3-diethoxy-1,3-bis(oxidanylidene)propan-2-yl]oxyphenyl]-2-[(4-methoxy-4-oxidanylidene-butanoyl)amino]propanoic acid Openeye Name: (2S)-3-[4-(2-ethoxy-1-ethoxycarbonyl-2-oxo-ethoxy)phenyl]-2-[(4-methoxy-4-oxo-butanoyl)amino]propanoic acid CAS Name: (2S)-3-[4-(1,3-diethoxy-1,3-dioxopropan-2-yl)oxyphenyl]-2-[(4-methoxy-1,4-dioxobutyl)amino]propanoic acid IUPAC Name: (2S)-3-[4-(1,3-diethoxy-1,3-dioxopropan-2-yl)oxyphenyl]-2-[(4-methoxy-4-oxobutanoyl)amino]propanoic acid Traditional Name: (2S)-3-[4-(1-carbethoxy-2-ethoxy-2-keto-ethoxy)phenyl]-2-[(4-keto-4-methoxy-butanoyl)amino]propionic acid Formula: C21H27NO10 MolecularWeight: 453.43978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCC(=O)OC

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)OC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)CCC(=O)OC

InChI

InChI=1S/C21H27NO10/c1-4-30-20(27)18(21(28)31-5-2)32-14-8-6-13(7-9-14)12-15(19(25)26)22-16(23)10-11-17(24)29-3/h6-9,15,18H,4-5,10-12H2,1-3H3,(H,22,23)(H,25,26)/t15-/m0/s1