2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-2-[(2S,3S,4S,5S)-4-(hydroxymethyl)-1,3,4,5-tetrakis(oxidanyl)piperidin-2-yl]ethanoic acid

Systemtic Name: 2-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-2-[(2S,3S,4S,5S)-4-(hydroxymethyl)-1,3,4,5-tetrakis(oxidanyl)piperidin-2-yl]ethanoic acid Openeye Name: 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)-2-piperidyl]acetic acid CAS Name: 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-2-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)-2-piperidinyl]acetic acid IUPAC Name: 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl]acetic acid Traditional Name: 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-methylol-2-piperidyl]acetic acid Formula: C17H25N3O9 MolecularWeight: 415.3951

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(N1O)C(C(=O)O)NC(=O)C(CC2=CC=C(C=C2)O)N)O)(CO)O)O

Isomeric SMILES

C1[C@@H]([C@]([C@H]([C@@H](N1O)C(C(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)O)(CO)O)O

InChI

InChI=1S/C17H25N3O9/c18-10(5-8-1-3-9(22)4-2-8)15(25)19-12(16(26)27)13-14(24)17(28,7-21)11(23)6-20(13)29/h1-4,10-14,21-24,28-29H,5-7,18H2,(H,19,25)(H,26,27)/t10-,11-,12?,13-,14-,17-/m0/s1