Microbacterins; Microbacterin B

AlkaPlorer ID: AK306428

Synonym: None

IUPAC Name: None

Structure

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

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InChI: InChI=1S/C92H154N20O22/c1-26-90(23,81(131)96-43-40-67(117)100-61(50-54(8)9)73(123)107-91(24,27-2)82(132)110-87(17,18)79(129)101-59(48-52(4)5)71(121)94-41-38-65(115)93-44-47-113)106-72(122)60(49-53(6)7)99-66(116)39-42-95-77(127)68(118)85(13,14)104-69(119)55(10)97-76(126)64-37-33-46-112(64)84(134)92(25,28-3)108-74(124)62(51-58-34-30-29-31-35-58)102-78(128)86(15,16)109-80(130)88(19,20)105-70(120)56(11)98-75(125)63-36-32-45-111(63)83(133)89(21,22)103-57(12)114/h29-31,34-35,52-56,59-64,68,113,118H,26-28,32-33,36-51H2,1-25H3,(H,93,115)(H,94,121)(H,95,127)(H,96,131)(H,97,126)(H,98,125)(H,99,116)(H,100,117)(H,101,129)(H,102,128)(H,103,114)(H,104,119)(H,105,120)(H,106,122)(H,107,123)(H,108,124)(H,109,130)(H,110,132)

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InChIKey: QCSCPZRUGINXAD-UHFFFAOYSA-N

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Reference

PubChem CID: 163112550

COCONUT: CNP0433028.1

Properties Information

Molecule Weight: 1892.362

TPSA: 604.8799999999998

MolLogP: -1.365099999999968

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