(Q104202873)

English

N-(3-{14-benzyl-3,6,9,12,15,18-hexahydroxy-5,17-bis[3-(N-hydroxyacetamido)propyl]-8-(hydroxymethyl)-11-(2-methylpropyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl}propyl)-N-hydroxyacetamide

group of stereoisomers with the chemical formula C₃₉H₆₁N₉O₁₃

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instance of

group of stereoisomers

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subclass of

biogenic cyclopeptide

1 reference

inferred from

biogenic cyclopeptide

mass

863.4388830120004 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₉H₆₁N₉O₁₃

0 references

canonical SMILES

CC(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(C)=O)NC(=O)C(CCCN(O)C(C)=O)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(C)C)NC(=O)C(CO)NC1=O

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Identifiers

InChI

InChI=1S/C39H61N9O13/c1-23(2)20-31-37(56)44-32(21-27-12-7-6-8-13-27)38(57)42-29(15-10-18-47(60)25(4)51)35(54)40-28(14-9-17-46(59)24(3)50)34(53)41-30(16-11-19-48(61)26(5)52)36(55)45-33(22-49)39(58)43-31/h6-8,12-13,23,28-33,49,59-61H,9-11,14-22H2,1-5H3,(H,40,54)(H,41,53)(H,42,57)(H,43,58)(H,44,56)(H,45,55)

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InChIKey

ZWTDABBYXDAIOL-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

ZWTDABBYXDAIOL-UHFFFAOYSA-N

ChEBI ID

182473

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C39H61N9O13/c1-23(2)20-31-37(56)44-32(21-27-12-7-6-8-13-27)38(57)42-29(15-10-18-47(60)25(4)51)35(54)40-28(14-9-17-46(59)24(3)50)34(53)41-30(16-11-19-48(61)26(5)52)36(55)45-33(22-49)39(58)43-31/h6-8,12-13,23,28-33,49,59-61H,9-11,14-22H2,1-5H3,(H,40,54)(H,41,53)(H,42,57)(H,43,58)(H,44,56)(H,45,55)

(Q104202873)

N-(3-{14-benzyl-3,6,9,12,15,18-hexahydroxy-5,17-bis[3-(N-hydroxyacetamido)propyl]-8-(hydroxymethyl)-11-(2-methylpropyl)-1,4,7,10,13,16-hexaazacyclooctadeca-1(18),3,6,9,12,15-hexaen-2-yl}propyl)-N-hydroxyacetamide

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