(Q110172631)

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-methylnonanamide

group of stereoisomers with the chemical formula C₅₁H₈₉N₁₃O₁₀

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Statements

instance of

group of stereoisomers

0 references

subclass of

chemical compound

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mass

1,043.685536048 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₁H₈₉N₁₃O₁₀

0 references

canonical SMILES

O=C(NC(C(=O)NC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC1)CC(C)C)CCN)CCN)CC(C)C)CC=2C=CC=CC2)CCN)CCN)CC(O)CCCCC(C)C

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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/C51H89N13O10/c1-30(2)12-10-11-15-34(65)29-43(66)57-35(16-21-52)45(68)61-39-20-25-56-44(67)40(26-31(3)4)62-47(70)37(18-23-54)58-46(69)36(17-22-53)60-50(73)41(27-32(5)6)63-51(74)42(28-33-13-8-7-9-14-33)64-48(71)38(19-24-55)59-49(39)72/h7-9,13-14,30-32,34-42,65H,10-12,15-29,52-55H2,1-6H3,(H,56,67)(H,57,66)(H,58,69)(H,59,72)(H,60,73)(H,61,68)(H,62,70)(H,63,74)(H,64,71)

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InChIKey

WRSQXBBPZQBRSI-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WRSQXBBPZQBRSI-UHFFFAOYSA-N

ChEBI ID

218809

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C51H89N13O10/c1-30(2)12-10-11-15-34(65)29-43(66)57-35(16-21-52)45(68)61-39-20-25-56-44(67)40(26-31(3)4)62-47(70)37(18-23-54)58-46(69)36(17-22-53)60-50(73)41(27-32(5)6)63-51(74)42(28-33-13-8-7-9-14-33)64-48(71)38(19-24-55)59-49(39)72/h7-9,13-14,30-32,34-42,65H,10-12,15-29,52-55H2,1-6H3,(H,56,67)(H,57,66)(H,58,69)(H,59,72)(H,60,73)(H,61,68)(H,62,70)(H,63,74)(H,64,71)

Natural Product Atlas ID

NPA032558

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WRSQXBBPZQBRSI-UHFFFAOYSA-N

(Q110172631)

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-methylnonanamide

Statements

Identifiers

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