4-[[(2S)-3-(3-methoxycarbonyl-4-oxidanyl-phenyl)-1-oxidanylidene-1-(pentylamino)propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(2S)-3-(3-methoxycarbonyl-4-oxidanyl-phenyl)-1-oxidanylidene-1-(pentylamino)propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(1S)-1-[(4-hydroxy-3-methoxycarbonyl-phenyl)methyl]-2-oxo-2-(pentylamino)ethyl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2S)-3-(4-hydroxy-3-methoxycarbonylphenyl)-1-oxo-1-(pentylamino)propan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2S)-3-(4-hydroxy-3-methoxycarbonylphenyl)-1-oxo-1-(pentylamino)propan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(1S)-2-(amylamino)-1-(3-carbomethoxy-4-hydroxy-benzyl)-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C20H28N2O7 MolecularWeight: 408.44552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CC(=C(C=C1)O)C(=O)OC)NC(=O)CCC(=O)O

Isomeric SMILES

CCCCCNC(=O)[C@H](CC1=CC(=C(C=C1)O)C(=O)OC)NC(=O)CCC(=O)O

InChI

InChI=1S/C20H28N2O7/c1-3-4-5-10-21-19(27)15(22-17(24)8-9-18(25)26)12-13-6-7-16(23)14(11-13)20(28)29-2/h6-7,11,15,23H,3-5,8-10,12H2,1-2H3,(H,21,27)(H,22,24)(H,25,26)/t15-/m0/s1