(Q104918049)

English

Cycloheptamycin

group of stereoisomers with the chemical formula C₄₈H₆₈N₈O₁₂

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Statements

group of stereoisomers

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biogenic cyclopeptide

1 reference

biogenic cyclopeptide

948.495669616 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₈H₆₈N₈O₁₂

0 references

canonical SMILES

CCC(C)C1C(=O)NC(C(O)CC)C(=O)N(C)C(Cc2c[nH]c3ccc(OC)cc23)C(=O)OC(C)C(NC(=O)C(NC=O)C(C)C)C(=O)NC(Cc2ccc(OC)cc2)C(=O)NC(C)C(=O)N1C

0 references

1 reference

Cycloheptamycin, a new peptide antibiotic. Structure determination by mass spectrometry

Identifiers

InChI=1S/C48H68N8O12/c1-12-26(5)41-45(62)54-40(37(58)13-2)47(64)55(8)36(21-30-23-49-34-19-18-32(67-11)22-33(30)34)48(65)68-28(7)39(53-43(60)38(25(3)4)50-24-57)44(61)52-35(20-29-14-16-31(66-10)17-15-29)42(59)51-27(6)46(63)56(41)9/h14-19,22-28,35-41,49,58H,12-13,20-21H2,1-11H3,(H,50,57)(H,51,59)(H,52,61)(H,53,60)(H,54,62)

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ASSZAURWVSBFSV-UHFFFAOYSA-N

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1 reference

26 December 2021

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C48H68N8O12/c1-12-26(5)41-45(62)54-40(37(58)13-2)47(64)55(8)36(21-30-23-49-34-19-18-32(67-11)22-33(30)34)48(65)68-28(7)39(53-43(60)38(25(3)4)50-24-57)44(61)52-35(20-29-14-16-31(66-10)17-15-29)42(59)51-27(6)46(63)56(41)9/h14-19,22-28,35-41,49,58H,12-13,20-21H2,1-11H3,(H,50,57)(H,51,59)(H,52,61)(H,53,60)(H,54,62)

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

ASSZAURWVSBFSV-UHFFFAOYSA-N

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