(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide（CAS号：140896-21-5）

Indolicidin

基本信息

在编辑器中查看

CAS号

140896-21-5

分子式

C100H132N26O13

分子量

1906.32 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品胺类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

实验室化学品科研化学品生化试剂

基本物理性质

水溶性

Soluble in water (1 mg/ml).

SMILES

在编辑器中查看

CCC(C)C(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCCCN)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)N6CCCC6C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)NC(CC9=CNC1=CC=CC=C19)C(=O)N1CCCC1C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N)N

InChI

InChI=1S/C100H132N26O13/c1-5-57(4)85(102)95(136)123-79(45-56(2)3)96(137)124-42-20-36-82(124)92(133)118-76(46-58-51-110-68-28-11-6-23-63(58)68)89(130)116-74(33-16-17-39-101)88(129)121-80(49-61-54-113-71-31-14-9-26-66(61)71)97(138)125-43-21-38-84(125)94(135)120-78(48-60-53-112-70-30-13-8-25-65(60)70)91(132)122-81(50-62-55-114-72-32-15-10-27-67(62)72)98(139)126-44-22-37-83(126)93(134)119-77(47-59-52-111-69-29-12-7-24-64(59)69)90(131)117-75(35-19-41-109-100(106)107)87(128)115-73(86(103)127)34-18-40-108-99(104)105/h6-15,23-32,51-57,73-85,110-114H,5,16-22,33-50,101-102H2,1-4H3,(H2,103,127)(H,115,128)(H,116,130)(H,117,131)(H,118,133)(H,119,134)(H,120,135)(H,121,129)(H,122,132)(H,123,136)(H4,104,105,108)(H4,106,107,109)

InChIKey

USSYUMHVHQSYNA-UHFFFAOYSA-N

LogP

3.5029399999999704

拓扑极性表面积

620.71 Å²

氢键供体/受体

28 / 39

复杂度

4190

同义词与引用数据

英文

140896-21-5
Indolicidin
NH2-Ile-Leu-Pro-Trp-Lys-Trp-Pro-Trp-Trp-Pro-Trp-Arg-Arg-CONH2
Tridecapeptide amide
AKOS040763967
ILE-LEU-PRO-TRP-LYS-TRP-PRO-TRP-TRP-PRO-TRP-ARG-ARG-NH2
L-Argininamide,L-isoleucyl-L-leucyl-L-prolyl-L-tryptophyl-L-lysyl-L-tryptophyl-L-prolyl-L-tryp...
L-Argininamide,L-isoleucyl-L-leucyl-L-prolyl-L-tryptophyl-L-lysyl-L-tryptophyl-L-prolyl-L-tryptophyl-L-tryptophyl-L-prolyl-L-
H-Ile-Leu-Pro-Trp-Lys-Trp-Pro-Trp-Trp-Pro-Trp-Arg-Arg-NH2
ILPWKWPWWPWRR-NH2
I-L-P-W-K-W-P-W-W-P-W-R-R-NH2
Isoleucyl-leucyl-prolyl-tryptophyl-lysyl-tryptophyl-prolyl-tryptophyl-tryptophyl-prolyl-tryptophyl-arginyl-argininamide
42: PN: US7381704 SEQID: 42 claimed sequence
IndolicidinIndolicid
L-ArgininaMide,L-isoleucyl-L-leucyl-L-prolyl-L-tryptophyl-L-lysyl-L-tryptophyl-L-prolyl-L-tryptophyl-L-tryptophyl-L-prolyl-L-tryptophyl-L-arginyl-