Molecule

YM 47141

AlkaPlorer ID: AK318051

Synonym: None

IUPAC Name: N-[6-(2-amino-2-oxoethyl)-3,18-dimethyl-9,14-bis(2-methylpropyl)-2,5,8,11,12,13,16-heptaoxo-1-oxa-4,7,10,15-tetrazacyclooctadec-17-yl]-3-hydroxy-2-[[3-phenyl-2-[(2-phenylacetyl)amino]propanoyl]amino]butanamide

Structure

SMILES: CC(C)CC1N=C(O)C(N=C(O)C(N=C(O)C(CC2=CC=CC=C2)N=C(O)CC2=CC=CC=C2)C(C)O)C(C)OC(=O)C(C)N=C(O)C(CC(=N)O)N=C(O)C(CC(C)C)N=C(O)C(=O)C1=O

InChI: InChI=1S/C46H62N8O13/c1-23(2)18-30-38(58)39(59)45(65)52-31(19-24(3)4)41(61)51-33(22-34(47)56)40(60)48-25(5)46(66)67-27(7)37(44(64)50-30)54-43(63)36(26(6)55)53-42(62)32(20-28-14-10-8-11-15-28)49-35(57)21-29-16-12-9-13-17-29/h8-17,23-27,30-33,36-37,55H,18-22H2,1-7H3,(H2,47,56)(H,48,60)(H,49,57)(H,50,64)(H,51,61)(H,52,65)(H,53,62)(H,54,63)

InChIKey: RLFDHDLZRRLOSI-UHFFFAOYSA-N

Reference

YM-47141 and 47142, New Elastase Inhibitors Produced by Flexibacter sp. Q17897. I. Taxonomy, Fermentation, Isolation, Physico-chemical Properties and Biological Activities.

PubChem CID: 9897749

CAS: 157951-38-7

LOTUS: LTS0266352

COCONUT: CNP0353339.3

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Flexibacter sp.	Flexibacter	Flexibacteraceae	Cytophagales	Cytophagia	Bacteroidota	None	Bacteria

Properties Information

Molecule Weight: 935.045

TPSA？: 352.88

MolLogP？: 5.2492700000000045

Number of H-Donors: 10

Number of H-Acceptors: 13

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi