(Q27467017)

(4S,5R)-N-{3-[(2,3-Dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-o (English)

retrieved

19 October 2016

stereoisomer of

vibriobactin

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₅H₃₉N₅O₁₁

1 reference

stated in

RCSB protein data bank

PDB ligand ID

VBN

language of work or name

English

retrieved

16 February 2021

canonical SMILES

CC1C(N=C(O1)C2=CC=CC(=C2O)O)C(=O)NCCCN(CCCNC(=O)C3=CC=CC(=C3O)O)C(=O)C4C(OC(=N4)C5=CC=CC(=C5O)O)C

1 reference

language of work or name

English

title

(4S,5R)-N-{3-[(2,3-Dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-o (English)

retrieved

19 October 2016

isomeric SMILES

C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)NCCCN(CCCNC(=O)c3cccc(c3O)O)C(=O)[C@@H]4[C@H](OC(=N4)c5cccc(c5O)O)C

1 reference

stated in

RCSB protein data bank

PDB ligand ID

VBN

language of work or name

English

retrieved

16 February 2021

Identifiers

InChI

InChI=1S/C35H39N5O11/c1-18-26(38-33(50-18)21-9-4-12-24(42)29(21)45)32(48)37-15-7-17-40(16-6-14-36-31(47)20-8-3-11-23(41)28(20)44)35(49)27-19(2)51-34(39-27)22-10-5-13-25(43)30(22)46/h3-5,8-13,18-19,26-27,41-46H,6-7,14-17H2,1-2H3,(H,36,47)(H,37,48)/t18-,19-,26+,27+/m1/s1

1 reference

language of work or name

English

title

(4S,5R)-N-{3-[(2,3-Dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-o (English)

retrieved

19 October 2016

InChIKey

LLMKLMMXMOTPRU-QCOILQKOSA-N

1 reference

language of work or name

English

title

(4S,5R)-N-{3-[(2,3-Dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-o (English)

19 October 2016

1 reference

language of work or name

English

title

(4S,5R)-N-{3-[(2,3-Dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-N-[3-({[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)propyl]-5-methyl-4,5-dihydro-1,3-o (English)

19 October 2016

2 references

RCSB PDB - VBN Ligand Summary Page (English)

stated in

RCSB protein data bank

language of work or name

English

retrieved