None

AlkaPlorer ID: AK318560

Synonym: None

IUPAC Name: None

Structure

SMILES: CC[C@H](C)[C@H]1N=C(O)CN=C(O)[C@H](CO)N=C(O)[C@@H]2CSSC[C@@H](C(O)=N[C@@H](CC3=CC=CC=C3)C(O)=N[C@H](C(=O)O)C3=CNC4=CC=CC=C34)N=C(O)[C@H](C(C)C)N=C(O)[C@H](C(C)C)N=C(O)[C@H](C)N=C(O)[C@@H](CC3=CC=C(O)C=C3)N=C(O)CN=C(O)[C@H]3CSSC[C@@H](N=C(O)[C@H](CC(C)C)N=C(O)CN=C1O)C(O)=N[C@H](CC(=O)CN[C@@H](CC(=N)O)C(O)=N2)C(O)=N[C@H](CC1=CC=CC=C1)C(O)=N[C@@H](C)C(O)=NCC(O)=N3

copy

InChI: InChI=1S/C97H131N23O26S4/c1-11-50(8)79-94(142)104-40-74(126)107-62(30-47(2)3)88(136)115-69-44-148-147-43-68-84(132)103-39-73(125)108-63(33-55-26-28-56(122)29-27-55)86(134)106-52(10)82(130)118-78(49(6)7)96(144)119-77(48(4)5)95(143)116-71(92(140)111-65(32-54-22-16-13-17-23-54)90(138)120-80(97(145)146)59-37-100-60-25-19-18-24-58(59)60)46-150-149-45-70(93(141)113-67(42-121)83(131)102-41-76(128)117-79)114-85(133)61(35-72(98)124)99-36-57(123)34-66(112-91(69)139)89(137)110-64(31-53-20-14-12-15-21-53)87(135)105-51(9)81(129)101-38-75(127)109-68/h12-29,37,47-52,61-71,77-80,99-100,121-122H,11,30-36,38-46H2,1-10H3,(H2,98,124)(H,101,129)(H,102,131)(H,103,132)(H,104,142)(H,105,135)(H,106,134)(H,107,126)(H,108,125)(H,109,127)(H,110,137)(H,111,140)(H,112,139)(H,113,141)(H,114,133)(H,115,136)(H,116,143)(H,117,128)(H,118,130)(H,119,144)(H,120,138)(H,145,146)/t50-,51-,52-,61-,62-,63+,64+,65-,66+,67-,68+,69+,70-,71-,77-,78-,79+,80-/m0/s1

copy

InChIKey: XDXPGGNQBLCLEA-QABTVRQJSA-N

copy

Reference

NPASS: NPC141061

Properties Information

Molecule Weight: 2163.5180000000005

TPSA: 818.5300000000005

MolLogP: 12.46897000000001

Number of H-Donors: 27

Number of H-Acceptors: 30

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information