Loihichelins; Loihichelin B

AlkaPlorer ID: AK304582

Synonym: None

IUPAC Name: None

Structure

SMILES: C/C=C(\NC(=O)C(CCCN(O)C(C)=O)NC(=O)C(CO)NC(=O)C(CCC(N)=O)NC(=O)C(CO)NC(=O)C(NC(=O)CC(O)CCCCCCCCC)C(O)C(=O)O)C(=O)NC(CO)C(=O)NC1CCCN(O)C1=O

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InChI: InChI=1S/C46H77N11O20/c1-4-6-7-8-9-10-11-14-26(62)21-35(64)55-36(37(65)46(74)75)44(72)54-33(24-60)42(70)50-29(17-18-34(47)63)40(68)53-31(22-58)41(69)49-28(15-12-19-56(76)25(3)61)39(67)48-27(5-2)38(66)52-32(23-59)43(71)51-30-16-13-20-57(77)45(30)73/h5,26,28-33,36-37,58-60,62,65,76-77H,4,6-24H2,1-3H3,(H2,47,63)(H,48,67)(H,49,69)(H,50,70)(H,51,71)(H,52,66)(H,53,68)(H,54,72)(H,55,64)(H,74,75)/b27-5-

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InChIKey: PWGQVJAUAUOVSK-HCEIJDMSSA-N

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Reference

CAS: 1134369-15-5

Source

Properties Information

Molecule Weight: 1104.179

TPSA: 495.42

MolLogP: -5.990900000000025

Number of H-Donors: 17

Number of H-Acceptors: 19

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information