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

Systemtic Name: 2-[(2S,3S,4S,5S)-4-(hydroxymethyl)-1,3,4,5-tetrakis(oxidanyl)piperidin-2-yl]-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-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)-3-(4-hydroxyphenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-2-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)-2-piperidinyl]acetic acid IUPAC Name: 2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-(hydroxymethyl)piperidin-2-yl]acetic acid Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-2-[(2S,3S,4S,5S)-1,3,4,5-tetrahydroxy-4-methylol-2-piperidyl]acetic acid Formula: C25H31N3O11 MolecularWeight: 549.52714

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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)NC(=O)OCC3=CC=CC=C3)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)NC(=O)OCC3=CC=CC=C3)O)(CO)O)O

InChI

InChI=1S/C25H31N3O11/c29-13-25(37)18(31)11-28(38)20(21(25)32)19(23(34)35)27-22(33)17(10-14-6-8-16(30)9-7-14)26-24(36)39-12-15-4-2-1-3-5-15/h1-9,17-21,29-32,37-38H,10-13H2,(H,26,36)(H,27,33)(H,34,35)/t17-,18-,19?,20-,21-,25-/m0/s1