(Q105126533)

English

(6aR,8Z)-2-[(2S,3S,4R,5S,6S)-3,4-dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-8-propylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one

chemical compound

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instance of

type of chemical entity

0 references

1 reference

(5Z)-13-{[3,4-dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy}-5-propylidene-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),8,10,12-tetraen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

429.226371092 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₃₁N₃O₅

0 references

canonical SMILES

O=C1C=2C=C(OC3OC(C)C(NC)C(O)(C)C3O)C=CC2N=CC4N1CC(=CCC)C4

0 references

isomeric SMILES

CC/C=C1/C[C@@H]2C=Nc3ccc(O[C@@H]4O[C@@H](C)[C@H](NC)[C@@](C)(O)[C@@H]4O)cc3C(=O)N2C1

0 references

found in taxon

Micromonospora

1 reference

stated in

Sibanomicin, a new pyrrolo[1,4]benzodiazepine antitumor antibiotic produced by a Micromonospora sp

Identifiers

InChI

InChI=1S/C23H31N3O5/c1-5-6-14-9-15-11-25-18-8-7-16(10-17(18)21(28)26(15)12-14)31-22-20(27)23(3,29)19(24-4)13(2)30-22/h6-8,10-11,13,15,19-20,22,24,27,29H,5,9,12H2,1-4H3/b14-6-/t13-,15+,19-,20+,22-,23+/m0/s1

0 references

InChIKey

JEZZKSQFJNWDCY-FLSLKJMCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JEZZKSQFJNWDCY-FLSLKJMCSA-N

(Q105126533)

(6aR,8Z)-2-[(2S,3S,4R,5S,6S)-3,4-dihydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-8-propylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one

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