ALFA-DEFENSIN-1, HUMAN

CAS No.
CCD No.
CCD03289739
Formula
C167H256N48O50S6
MolWeight
3928.54

Basic Information

Product Name: ALFA-DEFENSIN-1, HUMAN
English Synonyms: ASP-HIS-TYR-ASN-CYS-VAL-SER-SER-GLY-GLY-GLN-CYS-LEU-TYR-SER-ALA-CYS-PRO-ILE-PHE-THR-LYS-ILE-GLN-GLY-THR-CYS-TYR-ARG-GLY-LYS-ALA-LYS-CYS-CYS-LYS (DISULFIDE BRIDGE: CYS 5-CYS 34, CYS 12-CYS 27, CYS 17-CYS 35) ; ALFA-DEFENSIN-1, HUMAN
MDL Number.: MFCD17018694
H bond acceptor: 98
H bond donor: 56
Smile: CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@H](CC4=CNC=N4)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC4=CC=CC=C4)NC1=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N2)C(=O)N[C@@H](CCCCN)C(O)=O
InChi: InChI=1S/C167H256N48O50S6/c1-13-83(7)131-161(259)192-102(48-50-122(173)224)139(237)183-70-128(230)210-133(87(11)219)163(261)208-118-77-268-266-75-116-155(253)195-105(58-81(3)4)145(243)196-108(62-92-40-46-96(223)47-41-92)148(246)202-113(72-217)152(250)186-86(10)136(234)209-120(165(263)215-57-27-35-121(215)159(257)213-132(84(8)14-2)162(260)200-109(59-89-28-16-15-17-29-89)151(249)214-134(88(12)220)164(262)191-101(144(242)212-131)32-20-24-54-170)79-271-270-74-115(154(252)193-104(166(264)265)33-21-25-55-171)207-157(255)117(204-142(240)100(31-19-23-53-169)189-135(233)85(9)185-141(239)99(30-18-22-52-168)187-127(229)69-182-138(236)98(34-26-56-179-167(176)177)190-146(244)106(198-156(118)254)60-90-36-42-94(221)43-37-90)76-267-269-78-119(158(256)211-130(82(5)6)160(258)203-114(73-218)153(251)201-112(71-216)140(238)181-67-125(227)180-68-126(228)188-103(143(241)205-116)49-51-123(174)225)206-150(248)111(65-124(175)226)199-147(245)107(61-91-38-44-95(222)45-39-91)197-149(247)110(63-93-66-178-80-184-93)194-137(235)97(172)64-129(231)232/h15-17,28-29,36-47,66,80-88,97-121,130-134,216-223H,13-14,18-27,30-35,48-65,67-79,168-172H2,1-12H3,(H2,173,224)(H2,174,225)(H2,175,226)(H,178,184)(H,180,227)(H,181,238)(H,182,236)(H,183,237)(H,185,239)(H,186,250)(H,187,229)(H,188,228)(H,189,233)(H,190,244)(H,191,262)(H,192,259)(H,193,252)(H,194,235)(H,195,253)(H,196,243)(H,197,247)(H,198,254)(H,199,245)(H,200,260)(H,201,251)(H,202,246)(H,203,258)(H,204,240)(H,205,241)(H,206,248)(H,207,255)(H,208,261)(H,209,234)(H,210,230)(H,211,256)(H,212,242)(H,213,257)(H,214,249)(H,231,232)(H,264,265)(H4,176,177,179)/t83-,84-,85-,86-,87+,88+,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,130-,131-,132-,133-,134-/m0/s1
InChiKey: InChIKey=CLAFBNXESHRGJL-YYSGPKNVSA-N

* If the product has intellectual property rights, a license granted is must or contact us.