(2S)-3-(3-hydroxyphenyl)-2-[[(2S)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]propanoic acid

Systemtic Name: (2S)-3-(3-hydroxyphenyl)-2-[[(2S)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoylamino]propanoic acid Openeye Name: (2S)-3-(3-hydroxyphenyl)-2-[[(1S)-1-methoxycarbonyl-3-methyl-butyl]carbamoylamino]propanoic acid CAS Name: (2S)-3-(3-hydroxyphenyl)-2-[[[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(3-hydroxyphenyl)-2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoylamino]propanoic acid Traditional Name: (2S)-2-[[(1S)-1-carbomethoxy-3-methyl-butyl]carbamoylamino]-3-(3-hydroxyphenyl)propionic acid Formula: C17H24N2O6 MolecularWeight: 352.38226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O6/c1-10(2)7-14(16(23)25-3)19-17(24)18-13(15(21)22)9-11-5-4-6-12(20)8-11/h4-6,8,10,13-14,20H,7,9H2,1-3H3,(H,21,22)(H2,18,19,24)/t13-,14-/m0/s1