(Q105342015)

English

2-[[(5R,6S)-1,6,9,14-tetrahydroxy-5-[(2S,3S,4S,5S,6S)-3-hydroxy-6-methyl-5-(methylamino)-4-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

2-[[1,6,9,14-Tetrahydroxy-5-[3-hydroxy-6-methyl-5-(methylamino)-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-11-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid

1 reference

based on heuristic

inferred from SMILES

826.243262504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₄₂N₂O₁₈

0 references

canonical SMILES

CNC1C(C)OC(OC2c3cc(C)c(C(=O)NCC(=O)O)c(O)c3-c3c(cc4c(c3O)C(=O)c3cc(OC)cc(O)c3C4=O)C2O)C(O)C1OC1OCC(O)C(O)C1O

0 references

isomeric SMILES

CN[C@@H]1[C@H](O[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O[C@@H]2c3cc(C)c(C(=O)NCC(=O)O)c(O)c3-c3c(cc4c(c3O)C(=O)c3cc(OC)cc(O)c3C4=O)[C@@H]2O)O[C@H]1C

0 references

Actinomadura hibisca

1 reference

Pradimicins M, N, O and P, new dihydrobenzo[a]naphthacenequinones produced by blocked mutants of Actinomadura hibisca P157-2

Identifiers

InChI=1S/C39H42N2O18/c1-11-5-17-24(31(50)21(11)37(54)41-9-20(44)45)23-15(8-16-25(32(23)51)28(47)14-6-13(55-4)7-18(42)22(14)27(16)46)29(48)35(17)58-39-34(53)36(26(40-3)12(2)57-39)59-38-33(52)30(49)19(43)10-56-38/h5-8,12,19,26,29-30,33-36,38-40,42-43,48-53H,9-10H2,1-4H3,(H,41,54)(H,44,45)/t12-,19+,26-,29-,30+,33+,34-,35+,36-,38+,39-/m0/s1

0 references

XTZUCVXVWVTYDG-WUCRNJOSSA-N

0 references

2 references

15 September 2022

matched by identifier from

XTZUCVXVWVTYDG-WUCRNJOSSA-N

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