(Q105152689)

English

N-[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxy-8-methyldecanamide

group of stereoisomers with the chemical formula C₅₂H₉₁N₁₃O₁₀

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Statements

instance of

group of stereoisomers

0 references

subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

1,057.701186112 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₂H₉₁N₁₃O₁₀

0 references

canonical SMILES

CCC(C)CCCCC(O)CC(=O)NC(CCN)C(=O)NC1CCNC(=O)C(CC(C)C)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)C(CCN)NC1=O

0 references

found in taxon

Bacillus circulans

1 reference

stated in

Bu-2470, a new peptide antibiotic complex. II. Structure determination of Bu-2470 A, B1, B2a and B2b

Identifiers

InChI

InChI=1S/C52H91N13O10/c1-7-33(6)13-11-12-16-35(66)30-44(67)58-36(17-22-53)46(69)62-40-21-26-57-45(68)41(27-31(2)3)63-48(71)38(19-24-55)59-47(70)37(18-23-54)61-51(74)42(28-32(4)5)64-52(75)43(29-34-14-9-8-10-15-34)65-49(72)39(20-25-56)60-50(40)73/h8-10,14-15,31-33,35-43,66H,7,11-13,16-30,53-56H2,1-6H3,(H,57,68)(H,58,67)(H,59,70)(H,60,73)(H,61,74)(H,62,69)(H,63,71)(H,64,75)(H,65,72)

0 references

InChIKey

LJOLGHKSWJYWDB-UHFFFAOYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

223036

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C52H91N13O10/c1-7-33(6)13-11-12-16-35(66)30-44(67)58-36(17-22-53)46(69)62-40-21-26-57-45(68)41(27-31(2)3)63-48(71)38(19-24-55)59-47(70)37(18-23-54)61-51(74)42(28-32(4)5)64-52(75)43(29-34-14-9-8-10-15-34)65-49(72)39(20-25-56)60-50(40)73/h8-10,14-15,31-33,35-43,66H,7,11-13,16-30,53-56H2,1-6H3,(H,57,68)(H,58,67)(H,59,70)(H,60,73)(H,61,74)(H,62,69)(H,63,71)(H,64,75)(H,65,72)

1 reference

Natural Product Atlas ID

NPA020955

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

LJOLGHKSWJYWDB-UHFFFAOYSA-N

(Q105152689)

N-[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3,12-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxy-8-methyldecanamide

Statements

Identifiers

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