Microbacterins; Microbacterin A

AlkaPlorer ID: AK306427

Synonym: None

IUPAC Name: None

Structure

SMILES: CCC(C)(N=C(O)C(CC1=CC=CC=C1)N=C(O)C(C)(C)N=C(O)C(C)(C)N=C(O)C(C)N=C(O)C1CCCN1C(=O)C(C)(C)N=C(C)O)C(=O)N1CCCC1C(O)=NC(C)C(O)=NC(C)(C)C(O)C(O)=NCCC(O)=NC(CC(C)C)C(O)=NC(C)(CC)C(O)=NCCC(O)=NC(CC(C)C)C(O)=NC(C)(C)C(O)=NC(C)(C)C(O)=NC(CC(C)C)C(O)=NCCC(O)=NCCO

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InChI: InChI=1S/C91H152N20O22/c1-26-90(24,81(131)95-42-39-66(116)98-59(48-52(5)6)71(121)105-88(20,21)80(130)109-85(14,15)77(127)100-58(47-51(3)4)70(120)93-40-37-64(114)92-43-46-112)106-72(122)60(49-53(7)8)99-65(115)38-41-94-76(126)67(117)84(12,13)103-68(118)54(9)96-75(125)63-36-32-45-111(63)83(133)91(25,27-2)107-73(123)61(50-57-33-29-28-30-34-57)101-78(128)86(16,17)108-79(129)87(18,19)104-69(119)55(10)97-74(124)62-35-31-44-110(62)82(132)89(22,23)102-56(11)113/h28-30,33-34,51-55,58-63,67,112,117H,26-27,31-32,35-50H2,1-25H3,(H,92,114)(H,93,120)(H,94,126)(H,95,131)(H,96,125)(H,97,124)(H,98,116)(H,99,115)(H,100,127)(H,101,128)(H,102,113)(H,103,118)(H,104,119)(H,105,121)(H,106,122)(H,107,123)(H,108,129)(H,109,130)

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InChIKey: ZIWFEHAHHMAUGF-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 1878.3349999999991

TPSA: 667.7000000000004

MolLogP: 13.3702

Number of H-Donors: 20

Number of H-Acceptors: 22

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information