YM-47141
AlkaPlorer ID: AK046888
Synonym: None
IUPAC Name: (2S)-N-[(3R,6S,9S,17S)-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-[[(2S)-3-phenyl-2-[(2-phenylacetyl)amino]propanoyl]amino]butanamide
Structure
SMILES: CC(C)CC1N=C(O)[C@@H](N=C(O)[C@@H](N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)CC2=CC=CC=C2)C(C)O)C(C)OC(=O)[C@@H](C)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](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)/t25-,26?,27?,30?,31+,32+,33+,36+,37+/m1/s1
InChIKey: RLFDHDLZRRLOSI-IZZRYQIDSA-N
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 |
|---|