Lydiamycin B

AlkaPlorer ID: AK021542

Synonym: None

IUPAC Name: 2-[2-[3-[[(3S,6R,9S,13R,15R)-15-hydroxy-3-methyl-6-(2-methylpropyl)-2,5,8,12-tetraoxo-11-oxa-1,4,7,17-tetrazabicyclo[11.4.0]heptadecan-9-yl]carbamoyl]-4,5-dihydro-3H-pyridazin-2-yl]-2-oxoethyl]heptanoic acid

Structure

SMILES: CCCCCC(CC(=O)N1N=CCCC1C(O)=N[C@H]1COC(=O)[C@H]2C[C@@H](O)CNN2C(=O)[C@H](C)N=C(O)[C@@H](CC(C)C)N=C1O)C(=O)O

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InChI: InChI=1S/C31H49N7O10/c1-5-6-7-9-19(30(45)46)13-25(40)37-23(10-8-11-32-37)28(43)36-22-16-48-31(47)24-14-20(39)15-33-38(24)29(44)18(4)34-26(41)21(12-17(2)3)35-27(22)42/h11,17-24,33,39H,5-10,12-16H2,1-4H3,(H,34,41)(H,35,42)(H,36,43)(H,45,46)/t18-,19?,20+,21+,22-,23?,24+/m0/s1

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InChIKey: KHOLPVDDEDKHJE-YKGAZLOOSA-N

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Source

Properties Information

Molecule Weight: 679.7720000000003

TPSA: 246.61

MolLogP: 1.698900000000006

Number of H-Donors: 6

Number of H-Acceptors: 11

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information