(4R,5R)-4-[2-(benzenesulfonyl)ethyl]-N-(2,3-dihydroxypropyl)-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-5H-oxazole-4-carboxamide (Q27215516)

SUGA2_000113 (English)

11 October 2016

chemical formula

C₃₀H₃₄N₂O₈S

1 reference

SUGA2_000113 (English)

11 October 2016

canonical SMILES

C1=CC=C(C=C1)C2C(N=C(O2)C3=CC=C(C=C3)OCCCO)(CCS(=O)(=O)C4=CC=CC=C4)C(=O)NCC(CO)O

1 reference

SUGA2_000113 (English)

11 October 2016

isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@](N=C(O2)C3=CC=C(C=C3)OCCCO)(CCS(=O)(=O)C4=CC=CC=C4)C(=O)NCC(CO)O

1 reference

SUGA2_000113 (English)

InChI=1S/C30H34N2O8S/c33-17-7-18-39-25-14-12-23(13-15-25)28-32-30(29(36)31-20-24(35)21-34,27(40-28)22-8-3-1-4-9-22)16-19-41(37,38)26-10-5-2-6-11-26/h1-6,8-15,24,27,33-35H,7,16-21H2,(H,31,36)/t24?,27-,30-/m1/s1

11 October 2016

Identifiers

InChI

1 reference

SUGA2_000113 (English)

XFVMNKBBHXQPDR-HLJLCESISA-N

11 October 2016

InChIKey

2 references

SUGA2_000113 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

SUGA2_000113 (English)

matched by identifier from

11 October 2016

InChIKey

XFVMNKBBHXQPDR-HLJLCESISA-N

ChEBI ID

125168

mapping relation type

2 references

(4R,5R)-4-[2-(benzenesulfonyl)ethyl]-N-(2,3-dihydroxypropyl)-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-5H-oxazole-4-carboxamide (English)