(Q125617936)

English

Bz(2,3-diOH)-Arg-DL-Thr(1)-OH.Bz(2,3-diOH)-Arg-Thr(2)-(1).Bz(2,3-diOH)-Arg-Thr-(2)

No description defined

In more languages

Statements

group of stereoisomers

0 references

chemical compound

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1,197.5050650519993 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₁H₇₁N₁₅O₁₉

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canonical SMILES

O=C(O)C(NC(=O)C(NC(=O)C=1C=CC=C(O)C1O)CCCNC(=N)N)C(OC(=O)C(NC(=O)C(NC(=O)C=2C=CC=C(O)C2O)CCCNC(=N)N)C(OC(=O)C(NC(=O)C(NC(=O)C=3C=CC=C(O)C3O)CCCNC(=N)N)C(O)C)C)C

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isomeric SMILES

C[C@@H](OC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1cccc(O)c1O)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1cccc(O)c1O)[C@@H](C)O)C(NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1cccc(O)c1O)C(=O)O

0 references

1 reference

Streptobactin, a tricatechol-type siderophore from marine-derived Streptomyces sp. YM5-799.

Identifiers

InChI=1S/C51H71N15O19/c1-22(67)34(64-43(77)28(13-7-19-58-49(52)53)61-40(74)25-10-4-16-31(68)37(25)71)47(82)85-24(3)36(66-45(79)30(15-9-21-60-51(56)57)63-42(76)27-12-6-18-33(70)39(27)73)48(83)84-23(2)35(46(80)81)65-44(78)29(14-8-20-59-50(54)55)62-41(75)26-11-5-17-32(69)38(26)72/h4-6,10-12,16-18,22-24,28-30,34-36,67-73H,7-9,13-15,19-21H2,1-3H3,(H,61,74)(H,62,75)(H,63,76)(H,64,77)(H,65,78)(H,66,79)(H,80,81)(H4,52,53,58)(H4,54,55,59)(H4,56,57,60)/t22-,23-,24-,28+,29+,30+,34+,35?,36+/m1/s1

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FEXALOAZGPYIER-SAHXZMNPSA-N

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2 references

26 April 2024

based on heuristic

inferred from InChIKey

matched by identifier from

FEXALOAZGPYIER-SAHXZMNPSA-N

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