(Q105192136)

English

Xenematide

group of stereoisomers with the chemical formula C₃₇H₃₈N₆O₆

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Statements

instance of

group of stereoisomers

0 references

subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

662.285282936 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₃₈N₆O₆

0 references

canonical SMILES

CC1OC(=O)CCNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C1NC(=O)Cc1ccccc1

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isomeric SMILES

C[C@H]1OC(=O)CCNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)[C@H]1NC(=O)Cc1ccccc1

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Identifiers

InChI

InChI=1S/C37H38N6O6/c1-22-34(43-32(44)17-23-9-3-2-4-10-23)37(48)42-31(19-25-21-40-29-14-8-6-12-27(25)29)36(47)41-30(35(46)38-16-15-33(45)49-22)18-24-20-39-28-13-7-5-11-26(24)28/h2-14,20-22,30-31,34,39-40H,15-19H2,1H3,(H,38,46)(H,41,47)(H,42,48)(H,43,44)/t22-,30?,31?,34+/m1/s1

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InChIKey

OHLKJNUNPSYJEE-RWBJUYEISA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

OHLKJNUNPSYJEE-RWBJUYEISA-N

ChEBI ID

214004

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C37H38N6O6/c1-22-34(43-32(44)17-23-9-3-2-4-10-23)37(48)42-31(19-25-21-40-29-14-8-6-12-27(25)29)36(47)41-30(35(46)38-16-15-33(45)49-22)18-24-20-39-28-13-7-5-11-26(24)28/h2-14,20-22,30-31,34,39-40H,15-19H2,1H3,(H,38,46)(H,41,47)(H,42,48)(H,43,44)/t22-,30?,31?,34+/m1/s1

1 reference

Natural Product Atlas ID

NPA019233

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OHLKJNUNPSYJEE-RWBJUYEISA-N

(Q105192136)

Xenematide

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