Ternatin

AlkaPlorer ID: AK315160

Synonym: None

IUPAC Name: 15-butan-2-yl-18-(1-hydroxy-2-methylpropyl)-1,3,4,10,12,13,21-heptamethyl-6,9-bis(2-methylpropyl)-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone

Structure

SMILES: CCC(C)C1NC(=O)C(C(O)C(C)C)NC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)C(CC(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(C)N(C)C1=O

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InChI: InChI=1S/C37H67N7O8/c1-16-22(8)28-37(52)43(14)25(11)35(50)44(15)27(18-20(4)5)32(47)38-26(17-19(2)3)36(51)42(13)24(10)34(49)41(12)23(9)31(46)40-29(33(48)39-28)30(45)21(6)7/h19-30,45H,16-18H2,1-15H3,(H,38,47)(H,39,48)(H,40,46)

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InChIKey: ZMFVAIFXJWEOMH-UHFFFAOYSA-N

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Reference

PubChem CID: 192406

CAS: 148619-41-4

COCONUT: CNP0158877.2

Properties Information

Molecule Weight: 737.9839999999999

TPSA: 188.77

MolLogP: 0.9773000000000114

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information