Totopotensamide B

AlkaPlorer ID: AK316185

Synonym: None

IUPAC Name: N-[1-[[1-[[5-butan-2-yl-2-(2-chloro-3,5-dihydroxy-4-methylphenyl)-11-methyl-3,6,9,13-tetraoxo-1,4,7,10-tetrazacyclotridec-12-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-9,11,12-trihydroxy-4,6,8,10-tetramethyl-3-oxotridecanamide

Structure

SMILES: CCC(C)C1N=C(O)C(C2=CC(O)=C(C)C(O)=C2Cl)N=C(O)C(N=C(O)C(C)N=C(O)C(N=C(O)CC(=O)C(C)CC(C)CC(C)C(O)C(C)C(O)C(C)O)C(C)O)C(C)N=C(O)CN=C1O

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InChI: InChI=1S/C45H72ClN7O14/c1-12-19(3)34-42(64)47-17-32(59)48-24(8)35(43(65)53-37(45(67)51-34)28-15-30(57)22(6)40(62)33(28)46)52-41(63)25(9)49-44(66)36(26(10)54)50-31(58)16-29(56)20(4)13-18(2)14-21(5)38(60)23(7)39(61)27(11)55/h15,18-21,23-27,34-39,54-55,57,60-62H,12-14,16-17H2,1-11H3,(H,47,64)(H,48,59)(H,49,66)(H,50,58)(H,51,67)(H,52,63)(H,53,65)

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InChIKey: LACOKYPQGAPLII-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 970.559

TPSA: 366.5800000000001

MolLogP: 5.505920000000006

Number of H-Donors: 13

Number of H-Acceptors: 14

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information