Chem
J-GLOBAL ID：200907010141507341   Nikkaji number：J168.849I

Vibriobactin

ビブリオバクチン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C35H39N5O11
Molecular formula furigana： C35-H39-N5-O11
Molecular weight： 705.721
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
InChI key： LLMKLMMXMOTPRU-QCOILQKOSA-N
SMILES： C[C@H]1OC(=N[C@@H]1C(=O)NCCCN(CCCNC(=O)c1cccc(O)c1O)C(=O)[C@H]1N=C(O[C@@H]1C)c1cccc(O)c1O)c1cccc(O)c1O
Systematic name  (3)：
  • (4S)-N-[3-[(2,3-ジヒドロキシベンゾイル)アミノ]プロピル]-2-(2,3-ジヒドロキシフェニル)-N-[3-[[(4S)-2-(2,3-ジヒドロキシフェニル)-4,5-ジヒドロ-5β-メチルオキサゾール-4α-イル]カルボニルアミノ]プロピル]-4,5-ジヒドロ-5β-メチル-4α-オキサゾールカルボアミド
  • N-(3-{1-[(4S,5R)-2-(2,3-ジヒドロキシフェニル)-5-メチル-4,5-ジヒドロ-1,3-オキサゾール-4-イル]-N-(3-{[(4S,5R)-2-(2,3-ジヒドロキシフェニル)-5-メチル-4,5-ジヒドロ-1,3-オキサゾール-4-イル]ホルムアミド}プロピル)ホルムアミド}プロピル)-2,3-ジヒドロキシベンズアミド
  • N-(3-{1-[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]-N-(3-{[(4S,5R)-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl]formamido}propyl)formamido}propyl)-2,3-dihydroxybenzamide
Other name (3)：
  • ビブリオバクチン
  • Vibriobactin
  • (4S)-N-[3-[(2,3-Dihydroxybenzoyl)amino]propyl]-2-(2,3-dihydroxyphenyl)-N-[3-[[(4S)-2-(2,3-dihydroxyphenyl)-4,5-dihydro-5β-methyloxazol-4α-yl]carbonylamino]propyl]-4,5-dihydro-5β-methyl-4α-oxazolecarboxamide
CAS registry number： 88217-23-6
KEGG COMPOUND： C06769
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