(Q105023534)

English

[(2R,3S,5S,6R,7S,8Z,10S,11S,12Z,14Z)-26-hydroxy-2,5,6,11-tetramethoxy-3,7,9,15-tetramethyl-16,22-dioxo-20-thia-17,23-diazatricyclo[16.7.1.019,24]hexacosa-1(25),8,12,14,18(26),19(24)-hexaen-10-yl] carbamate

chemical compound

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instance of

type of chemical entity

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subclass of

(26-Hydroxy-2,5,6,11-tetramethoxy-3,7,9,15-tetramethyl-16,22-dioxo-20-thia-17,23-diazatricyclo[16.7.1.019,24]hexacosa-1(25),8,12,14,18(26),19(24)-hexaen-10-yl) carbamate

1 reference

based on heuristic

inferred from InChIKey

mass

647.28765102 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₅N₃O₉S

0 references

canonical SMILES

COC1C=CC=C(C)C(=O)Nc2c(O)c(cc3c2SCC(=O)N3)C(OC)C(C)CC(OC)C(OC)C(C)C=C(C)C1OC(N)=O

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isomeric SMILES

CO[C@H]1[C@@H](OC)C[C@H](C)[C@@H](OC)c2cc3c(c(c2O)NC(=O)/C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)/C(C)=C\[C@@H]1C)SCC(=O)N3

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found in taxon

Streptomyces

1 reference

stated in

Herbimycins D-F, ansamycin analogues from Streptomyces sp. RM-7-15

Identifiers

InChI

InChI=1S/C32H45N3O9S/c1-16-10-9-11-22(40-5)29(44-32(33)39)18(3)12-17(2)28(43-8)23(41-6)13-19(4)27(42-7)20-14-21-30(45-15-24(36)34-21)25(26(20)37)35-31(16)38/h9-12,14,17,19,22-23,27-29,37H,13,15H2,1-8H3,(H2,33,39)(H,34,36)(H,35,38)/b11-9-,16-10-,18-12-/t17-,19-,22-,23-,27+,28+,29-/m0/s1

0 references

InChIKey

GYBQYXANPDPLKQ-QVTLGQBVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GYBQYXANPDPLKQ-QVTLGQBVSA-N

ChEBI ID

226190

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C32H45N3O9S/c1-16-10-9-11-22(40-5)29(44-32(33)39)18(3)12-17(2)28(43-8)23(41-6)13-19(4)27(42-7)20-14-21-30(45-15-24(36)34-21)25(26(20)37)35-31(16)38/h9-12,14,17,19,22-23,27-29,37H,13,15H2,1-8H3,(H2,33,39)(H,34,36)(H,35,38)/b11-9-,16-10-,18-12-/t17-,19-,22-,23-,27+,28+,29-/m0/s1

1 reference

Natural Product Atlas ID

NPA017242

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GYBQYXANPDPLKQ-QVTLGQBVSA-N

(Q105023534)

[(2R,3S,5S,6R,7S,8Z,10S,11S,12Z,14Z)-26-hydroxy-2,5,6,11-tetramethoxy-3,7,9,15-tetramethyl-16,22-dioxo-20-thia-17,23-diazatricyclo[16.7.1.019,24]hexacosa-1(25),8,12,14,18(26),19(24)-hexaen-10-yl] carbamate

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