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- ChemComp-M2D: Madumycin II -

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Basic information

EntryDatabase: PDB chemical components / ID: M2D
NameName: Madumycin ii

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Chemical information

Composition
Formula: C26H37N3O7 / Number of atoms: 73 / Formula weight: 503.588 / Formal charge: 0
Others

5vp2

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: M2D / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5VP2
History
Create componentJun 20, 2017
Initial releaseJun 28, 2017
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385CC(C)[CH]1OC(=O)[CH](C)NC(=O)c2coc(C[CH](O)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]1C)n2
OpenEye OEToolkits 2.0.6CC1C=CC(=O)NCC=CC(=CC(CC(Cc2nc(co2)C(=O)NC(C(=O)OC1C(C)C)C)O)O)C

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SMILES CANONICAL

CACTVS 3.385CC(C)[C@H]1OC(=O)[C@@H](C)NC(=O)c2coc(C[C@@H](O)C[C@H](O)/C=C(C)/C=C\CNC(=O)/C=C/[C@H]1C)n2
OpenEye OEToolkits 2.0.6C[C@@H]1/C=C/C(=O)NC/C=C\C(=C\[C@H](C[C@@H](Cc2nc(co2)C(=O)N[C@@H](C(=O)O[C@@H]1C(C)C)C)O)O)\C

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InChI

InChI 1.03InChI=1S/C26H37N3O7/c1-15(2)24-17(4)8-9-22(32)27-10-6-7-16(3)11-19(30)12-20(31)13-23-29-21(14-35-23)25(33)28-18(5)26(34)36-24/h6-9,11,14-15,17-20,24,30-31H,10,12-13H2,1-5H3,(H,27,32)(H,28,33)/b7-6-,9-8+,16-11+/t17-,18-,19-,20+,24-/m1/s1

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InChIKey

InChI 1.03SAQNYTQFLPVTNJ-YHZICBGDSA-N

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SYSTEMATIC NAME

OpenEye OEToolkits 2.0.6(4~{R},7~{R},8~{R},9~{E},14~{Z},16~{E},18~{S},20~{S})-4,8,16-trimethyl-18,20-bis(oxidanyl)-7-propan-2-yl-6,23-dioxa-3,12,25-triazabicyclo[20.2.1]pentacosa-1(24),9,14,16,22(25)-pentaene-2,5,11-trione

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PDB entries

Showing all 1 items

PDB-5vp2:
Crystal structure of the Thermus thermophilus 70S ribosome in complex with madumycin II and bound to mRNA and A-, P- and E-site tRNAs at 2.8A resolution

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