(Q104201966)

English

TA Iiic

group of stereoisomers with the chemical formula C₉₁H₁₄₉N₂₃O₂₄

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Statements

group of stereoisomers

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chemical compound

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1,948.114582648 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₉₁H₁₄₉N₂₃O₂₄

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canonical SMILES

CCC(C)C(NC(=O)C(C)(C)NC(=O)C(NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(CCC(N)=O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)(C)NC(C)=O)C(C)C)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CO)Cc1c[nH]c2ccccc12

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Trichoderma harzianum

1 reference

Structure of trichorzianine A IIIc, an antifungal peptide from Trichoderma harzianum

Identifiers

InChI=1S/C91H149N23O24/c1-26-47(6)65(74(129)100-56(34-37-62(93)119)69(124)99-55(33-36-61(92)118)68(123)98-52(43-115)41-51-42-95-54-31-28-27-30-53(51)54)105-79(134)85(12,13)110-75(130)64(46(4)5)104-73(128)60-32-29-39-114(60)83(138)91(24,25)109-72(127)58(40-45(2)3)101-70(125)59(44-116)103-78(133)87(16,17)112-82(137)90(22,23)113-81(136)89(20,21)108-71(126)57(35-38-63(94)120)102-77(132)86(14,15)111-80(135)88(18,19)107-67(122)49(8)96-66(121)48(7)97-76(131)84(10,11)106-50(9)117/h27-28,30-31,42,45-49,52,55-60,64-65,95,115-116H,26,29,32-41,43-44H2,1-25H3,(H2,92,118)(H2,93,119)(H2,94,120)(H,96,121)(H,97,131)(H,98,123)(H,99,124)(H,100,129)(H,101,125)(H,102,132)(H,103,133)(H,104,128)(H,105,134)(H,106,117)(H,107,122)(H,108,126)(H,109,127)(H,110,130)(H,111,135)(H,112,137)(H,113,136)

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YQCZBYHEPONFMB-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

YQCZBYHEPONFMB-UHFFFAOYSA-N

2 references

15 September 2022

matched by identifier from

YQCZBYHEPONFMB-UHFFFAOYSA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C91H149N23O24/c1-26-47(6)65(74(129)100-56(34-37-62(93)119)69(124)99-55(33-36-61(92)118)68(123)98-52(43-115)41-51-42-95-54-31-28-27-30-53(51)54)105-79(134)85(12,13)110-75(130)64(46(4)5)104-73(128)60-32-29-39-114(60)83(138)91(24,25)109-72(127)58(40-45(2)3)101-70(125)59(44-116)103-78(133)87(16,17)112-82(137)90(22,23)113-81(136)89(20,21)108-71(126)57(35-38-63(94)120)102-77(132)86(14,15)111-80(135)88(18,19)107-67(122)49(8)96-66(121)48(7)97-76(131)84(10,11)106-50(9)117/h27-28,30-31,42,45-49,52,55-60,64-65,95,115-116H,26,29,32-41,43-44H2,1-25H3,(H2,92,118)(H2,93,119)(H2,94,120)(H,96,121)(H,97,131)(H,98,123)(H,99,124)(H,100,129)(H,101,125)(H,102,132)(H,103,133)(H,104,128)(H,105,134)(H,106,117)(H,107,122)(H,108,126)(H,109,127)(H,110,130)(H,111,135)(H,112,137)(H,113,136)

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

YQCZBYHEPONFMB-UHFFFAOYSA-N

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