None

AlkaPlorer ID: AK324342

Synonym: None

IUPAC Name: None

Structure

SMILES: C=C1N=C(O)[C@H](CC2=CNC3=CC=C(Cl)C=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]4CC(O)CN4C3=O)[C@@H](C)O)CSC2C)N=C(O)[C@H](CC(C)C)N=C1O

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InChI: InChI=1S/C94H126ClN25O27S5/c1-9-52(106-91(144)73(96)43(4)5)78(131)112-61-37-150-39-63(114-80(133)54(22-42(2)3)107-76(129)44(6)103-79(132)56(109-85(61)138)24-48-28-98-53-18-17-49(95)25-51(48)53)87(140)118-75-46(8)152-41-64(105-71(126)32-102-89(142)66-16-13-20-119(66)94(75)147)88(141)117-74(45(7)121)92(145)116-65-40-151-38-62-86(139)115-60-34-148-21-19-97-77(130)58(111-81(134)55(108-84(60)137)23-47-14-11-10-12-15-47)35-149-36-59(83(136)110-57(27-72(127)128)82(135)113-62)104-70(125)31-100-68(123)29-99-69(124)30-101-90(143)67-26-50(122)33-120(67)93(65)146/h9-12,14-15,17-19,21,25,28,42-43,45-46,50,54-67,73-75,98,121-122H,6,13,16,20,22-24,26-27,29-41,96H2,1-5,7-8H3,(H,97,130)(H,99,124)(H,100,123)(H,101,143)(H,102,142)(H,103,132)(H,104,125)(H,105,126)(H,106,144)(H,107,129)(H,108,137)(H,109,138)(H,110,136)(H,111,134)(H,112,131)(H,113,135)(H,114,133)(H,115,139)(H,116,145)(H,117,141)(H,118,140)(H,127,128)/b21-19-,52-9-/t45-,46?,50?,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,73+,74+,75+/m1/s1

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InChIKey: JFPAQLAXWZYADB-AQILIYKTSA-N

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Reference

PubChem CID: 76310120

NPASS: NPC487090

Properties Information

Molecule Weight: 2233.977999999999

TPSA: 844.5800000000005

MolLogP: 8.702300000000015

Number of H-Donors: 26

Number of H-Acceptors: 32

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Enterococcus faecalis Enterococcus faecalis MIC 2.0 ug.mL-1 10.1021/np400702t
Enterococcus faecium Enterococcus faecium MIC 4.0 ug.mL-1 10.1021/np400702t
Staphylococcus aureus Staphylococcus aureus MIC 0.25 ug.mL-1 10.1021/np400702t
Staphylococcus aureus Staphylococcus aureus MIC 1.0 ug.mL-1 10.1021/np400702t
Staphylococcus aureus Staphylococcus aureus MIC 2.0 ug.mL-1 10.1021/np400702t
Streptococcus pneumoniae Streptococcus pneumoniae MIC 0.03 ug.mL-1 10.1021/np400702t
Streptococcus pyogenes Streptococcus pyogenes MIC 0.001 ug.mL-1 10.1021/np400702t

Metabolism Information