(Q77514656)

English

Thiazomycin B

bioactive natural product

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No label defined

No description defined

Statements

type of chemical entity

0 references

OOHKUNIJVRTPMS-HNSNBQBZSA-N

1 reference

based on heuristic

inferred from SMILES

OOHKUNIJVRTPMS-UHFFFAOYSA-N

1 reference

based on heuristic

inferred from SMILES

1,249.160512676 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

OOHKUNIJVRTPMS-YWYBETBLSA-N

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅₂H₄₃N₁₃O₁₅S₅

0 references

canonical SMILES

C=C(NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)NC(C(C)O)C(=O)NC(=C(C)OC)c2nc(cs2)C(=O)NC2c4nc(cs4)C(=O)NC(COC(=O)c4[nH]c5cccc6c5c4COC2C(O)C(=O)OC6)c2nc-3cs2)n1)C(N)=O

0 references

isomeric SMILES

C=C(NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)N[C@@H]([C@@H](C)O)C(=O)NC(=C(C)OC)c2nc(cs2)C(=O)N[C@@H]2c4nc(cs4)C(=O)N[C@@H](COC(=O)c4[nH]c5cccc6c5c4CO[C@@H]2[C@H](O)C(=O)OC6)c2nc-3cs2)n1)C(N)=O

0 references

Actinokineospora fastidiosa

1 reference

Thiazomycins, thiazolyl peptide antibiotics from Amycolatopsis fastidiosa

Identifiers

InChI=1S/C52H43N13O15S5/c1-17(40(53)69)54-41(70)26-14-84-49(60-26)36-30(67)8-21-34(62-36)25-12-82-47(57-25)24-11-80-51(75)35-22-10-78-39(38(68)52(76)79-9-20-6-5-7-23(55-35)31(20)22)37(50-61-27(15-85-50)42(71)56-24)65-44(73)29-16-83-48(59-29)33(19(3)77-4)64-45(74)32(18(2)66)63-43(72)28-13-81-46(21)58-28/h5-8,12-16,18,24,32,37-39,55,66-68H,1,9-11H2,2-4H3,(H2,53,69)(H,54,70)(H,56,71)(H,63,72)(H,64,74)(H,65,73)/t18-,24+,32+,37+,38+,39+/m1/s1

0 references

OOHKUNIJVRTPMS-ZQRHLILJSA-N

2 references

language of work or name

Natural Product Atlas

language of work or name

2 references

language of work or name

matched by identifier from

OOHKUNIJVRTPMS-ZQRHLILJSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C52H43N13O15S5/c1-17(40(53)69)54-41(70)26-14-84-49(60-26)36-30(67)8-21-34(62-36)25-12-82-47(57-25)24-11-80-51(75)35-22-10-78-39(38(68)52(76)79-9-20-6-5-7-23(55-35)31(20)22)37(50-61-27(15-85-50)42(71)56-24)65-44(73)29-16-83-48(59-29)33(19(3)77-4)64-45(74)32(18(2)66)63-43(72)28-13-81-46(21)58-28/h5-8,12-16,18,24,32,37-39,55,66-68H,1,9-11H2,2-4H3,(H2,53,69)(H,54,70)(H,56,71)(H,63,72)(H,64,74)(H,65,73)/t18-,24+,32+,37+,38+,39+/m1/s1

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

OOHKUNIJVRTPMS-ZQRHLILJSA-N

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