(Q104667029)

English

WKNFBFHAYANQHF-HPBAPGONSA-N

group of stereoisomers with the chemical formula C₆₆H₇₃Cl₂N₉O₂₄

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Statements

group of stereoisomers

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chemical compound

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1,445.4145495759994 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₆₆H₇₃Cl₂N₉O₂₄

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canonical SMILES

CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(=O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2O)Oc2ccc(cc2Cl)C1O

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isomeric SMILES

CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3C[C@](C)(N)C(=O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2O[C@H](CO)C(O)[C@H](O)C2O)Oc2ccc(cc2Cl)C1O

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Amycolatopsis balhimycina

1 reference

Identification and Analysis of the Balhimycin Biosynthetic Gene Cluster and Its Use for Manipulating Glycopeptide Biosynthesis in Amycolatopsis mediterranei DSM5908

Identifiers

InChI=1S/C66H73Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(56(40)101-65-54(86)53(85)52(84)42(22-78)99-65)98-39-11-8-27(15-33(39)68)55(100-44-21-66(4,70)57(87)24(3)96-44)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-55,65,71,78-81,83-86H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24?,34?,35?,42-,44?,46?,47?,48?,49?,50?,51?,52?,53+,54?,55?,65?,66+/m1/s1

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WKNFBFHAYANQHF-HPBAPGONSA-N

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3 references

26 December 2021

15 September 2022

matched by identifier from

WKNFBFHAYANQHF-HPBAPGONSA-N

UniChem compound ID

1 reference

Natural Product Atlas ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

WKNFBFHAYANQHF-HPBAPGONSA-N

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