H-Thr-Cys-Asp-Asp-Pro-Arg-Phe-Gln-Asp-Ser-Ser-Ser-Ser-Lys-Ala-Pro-Pro-Pro-Ser-Leu-Pro-Ser-Pro-Ser-Arg-Leu-Pro-Gly-Pro-Ser-Asp-Thr-Pro-Ile-Leu-Pro-Gln-OH

AlkaPlorer ID: AK325382

Synonym: None

IUPAC Name: None

Structure

SMILES: CC[C@H](C)[C@H](N=C(O)[C@@H]1CCCN1C(=O)[C@@H](N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CO)N=C(O)[C@@H]1CCCN1C(=O)CN=C(O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@H](CO)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CO)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)N=C(O)[C@H](CO)N=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)[C@H](CO)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CCC(=N)O)N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)[C@H](CCCNC(=N)N)N=C(O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)N=C(O)[C@H](CC(=O)O)N=C(O)[C@H](CS)N=C(O)[C@@H](N)[C@@H](C)O)[C@@H](C)O)C(O)=N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=N[C@@H](CCC(=N)O)C(=O)O

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InChI: InChI=1S/C167H264N46O58S/c1-12-83(8)128(155(260)192-99(64-82(6)7)159(264)206-54-23-38-113(206)149(254)184-92(165(270)271)46-48-121(170)225)202-153(258)117-42-27-59-211(117)164(269)129(86(11)223)203-137(242)96(68-125(231)232)187-140(245)106(76-219)197-147(252)111-36-20-52-204(111)122(226)70-178-146(251)110-35-21-53-205(110)157(262)97(62-80(2)3)189-132(237)89(33-18-50-176-166(172)173)181-139(244)105(75-218)198-150(255)114-39-25-57-209(114)161(266)108(78-221)200-152(257)115-40-24-55-207(115)158(263)98(63-81(4)5)190-141(246)107(77-220)199-151(256)116-41-26-58-210(116)162(267)119-44-29-61-213(119)163(268)118-43-28-60-212(118)156(261)84(9)179-130(235)88(32-16-17-49-168)180-138(243)101(71-214)194-143(248)103(73-216)196-144(249)104(74-217)195-142(247)102(72-215)193-136(241)95(67-124(229)230)186-133(238)91(45-47-120(169)224)182-134(239)93(65-87-30-14-13-15-31-87)185-131(236)90(34-19-51-177-167(174)175)183-148(253)112-37-22-56-208(112)160(265)100(69-126(233)234)191-135(240)94(66-123(227)228)188-145(250)109(79-272)201-154(259)127(171)85(10)222/h13-15,30-31,80-86,88-119,127-129,214-223,272H,12,16-29,32-79,168,171H2,1-11H3,(H2,169,224)(H2,170,225)(H,178,251)(H,179,235)(H,180,243)(H,181,244)(H,182,239)(H,183,253)(H,184,254)(H,185,236)(H,186,238)(H,187,245)(H,188,250)(H,189,237)(H,190,246)(H,191,240)(H,192,260)(H,193,241)(H,194,248)(H,195,247)(H,196,249)(H,197,252)(H,198,255)(H,199,256)(H,200,257)(H,201,259)(H,202,258)(H,203,242)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H,270,271)(H4,172,173,176)(H4,174,175,177)/t83-,84-,85+,86+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,127-,128-,129-/m0/s1

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InChIKey: QUDMBHHVTODOHM-YXBYCKOISA-N

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Reference

PubChem CID: 16135549

NPASS: NPC85825

Source

Properties Information

Molecule Weight: 3876.2799999999847

TPSA: 1703.239999999999

MolLogP: 0.6543800000000013

Number of H-Donors: 54

Number of H-Acceptors: 58

RingCount: 11

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information