None

AlkaPlorer ID: AK324341

Synonym: None

IUPAC Name: None

Structure

SMILES: C=C1N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@@H](N=C(O)/C(=C/C)N=C(O)[C@@H](N)C(C)C)CSC[C@@H](C(O)=N[C@@H]2C(=O)N3CCC[C@H]3C(O)=NCC(O)=N[C@H](C(O)=N[C@H](C(O)=N[C@H]3CSC[C@@H]4N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CSC[C@@H]5N=C(O)[C@H](CC6=CC=CC=C6)N=C(O)[C@H](CS/C=C\N=C5O)N=C4O)N=C(O)CN=C(O)CN=C(O)CN=C(O)[C@@H]4CCCN4C3=O)[C@@H](C)O)CSC2C)N=C(O)[C@H](CC(C)C)N=C1O

copy

InChI: InChI=1S/C94H127N25O26S5/c1-9-52(105-91(142)73(95)45(4)5)78(129)111-61-39-148-41-63(113-80(131)54(27-44(2)3)106-76(127)46(6)102-79(130)56(108-85(61)136)29-50-31-97-53-20-14-13-19-51(50)53)87(138)117-75-48(8)150-43-64(104-71(124)35-101-90(141)67-22-16-25-119(67)94(75)145)88(139)116-74(47(7)120)92(143)115-65-42-149-40-62-86(137)114-60-36-146-26-23-96-77(128)58(110-81(132)55(107-84(60)135)28-49-17-11-10-12-18-49)37-147-38-59(83(134)109-57(30-72(125)126)82(133)112-62)103-70(123)34-99-68(121)32-98-69(122)33-100-89(140)66-21-15-24-118(66)93(65)144/h9-14,17-20,23,26,31,44-45,47-48,54-67,73-75,97,120H,6,15-16,21-22,24-25,27-30,32-43,95H2,1-5,7-8H3,(H,96,128)(H,98,122)(H,99,121)(H,100,140)(H,101,141)(H,102,130)(H,103,123)(H,104,124)(H,105,142)(H,106,127)(H,107,135)(H,108,136)(H,109,134)(H,110,132)(H,111,129)(H,112,133)(H,113,131)(H,114,137)(H,115,143)(H,116,139)(H,117,138)(H,125,126)/b26-23-,52-9-/t47-,48?,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,73+,74+,75+/m1/s1

copy

InChIKey: TWAZVQCIYKLGHD-CWRSTVTOSA-N

copy

Reference

PubChem CID: 76310119

NPASS: NPC487089

Properties Information

Molecule Weight: 2183.534

TPSA: 824.3500000000005

MolLogP: 9.07810000000001

Number of H-Donors: 25

Number of H-Acceptors: 31

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Enterococcus faecalis Enterococcus faecalis MIC 32.0 ug.mL-1 10.1021/np400702t
Enterococcus faecalis Enterococcus faecalis MIC 64.0 ug.mL-1 10.1021/np400702t
Enterococcus faecium Enterococcus faecium MIC 32.0 ug.mL-1 10.1021/np400702t
Staphylococcus aureus Staphylococcus aureus MIC 4.0 ug.mL-1 10.1021/np400702t
Staphylococcus aureus Staphylococcus aureus MIC 8.0 ug.mL-1 10.1021/np400702t
Staphylococcus aureus Staphylococcus aureus MIC 16.0 ug.mL-1 10.1021/np400702t
Streptococcus pneumoniae Streptococcus pneumoniae MIC 0.03 ug.mL-1 10.1021/np400702t
Streptococcus pyogenes Streptococcus pyogenes MIC 0.03 ug.mL-1 10.1021/np400702t

Metabolism Information