Astressin（CAS号：170809-51-5）

Astressin

基本信息

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CAS号

170809-51-5

分子式

C161H269N49O42

分子量

3563.2 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

SMILES

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CCCCC(C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC1CCC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC1=O)C)CC2=CNC=N2)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(C(C)CC)C(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC3=CNC=N3)NC(=O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C161H269N49O42/c1-23-27-41-96(189-145(239)107(52-59-123(217)218)199-152(246)114(71-84(13)14)207-157(251)126(85(15)16)208-147(241)108(53-60-124(219)220)197-140(234)102(47-38-66-179-161(172)173)193-151(245)112(69-82(9)10)204-153(247)113(70-83(11)12)205-155(249)116(74-94-77-175-79-181-94)201-134(228)95(163)72-92-39-30-29-31-40-92)135(229)182-88(19)130(224)186-100(45-36-64-177-159(168)169)136(230)183-89(20)131(225)188-106(51-58-122(215)216)144(238)195-104(49-56-119(165)212)146(240)202-110(67-80(5)6)149(243)185-90(21)132(226)187-103(48-55-118(164)211)143(237)196-105-50-57-121(214)176-63-35-33-44-99(192-154(248)115(73-93-76-174-78-180-93)200-133(227)91(22)184-137(105)231)142(236)206-117(75-120(166)213)156(250)194-101(46-37-65-178-160(170)171)139(233)190-98(43-32-34-62-162)141(235)203-111(68-81(7)8)150(244)191-97(42-28-24-2)138(232)198-109(54-61-125(221)222)148(242)210-128(87(18)26-4)158(252)209-127(129(167)223)86(17)25-3/h29-31,39-40,76-91,95-117,126-128H,23-28,32-38,41-75,162-163H2,1-22H3,(H2,164,211)(H2,165,212)(H2,166,213)(H2,167,223)(H,174,180)(H,175,181)(H,176,214)(H,182,229)(H,183,230)(H,184,231)(H,185,243)(H,186,224)(H,187,226)(H,188,225)(H,189,239)(H,190,233)(H,191,244)(H,192,248)(H,193,245)(H,194,250)(H,195,238)(H,196,237)(H,197,234)(H,198,232)(H,199,246)(H,200,227)(H,201,228)(H,202,240)(H,203,235)(H,204,247)(H,205,249)(H,206,236)(H,207,251)(H,208,241)(H,209,252)(H,210,242)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H4,168,169,177)(H4,170,171,178)(H4,172,173,179)/t86-,87-,88-,89-,90-,91-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,126-,127-,128-/m0/s1

InChIKey

HPYIIXJJVYSMCV-MGDXKYBTSA-N

LogP

-9.664090000000165

拓扑极性表面积

1489.6599999999992 Å²

氢键供体/受体

60 / 91

复杂度

8350

同义词与引用数据

英文

L-Isoleucinamide,d-phenylalanyl-L-histidyl-L-Leucyl-L-Leucyl-L-arginyl-L-a-glutamyl-L-valyl-L-Leucyl-L-a-glutamyl-L-norleucyl-L-alanyl-L-arginyl-L-alanyl-L-a-glutamyl-L-glutaminyl-l-leucyl-l-alanyl-l-
D-Phe-His-Leu-Leu-Arg-Glu-Val-Leu-Glu-Nle-Ala-Arg-Ala-Glu-Gln-Leu-Ala-Gln-cyclo-(Glu-Ala-His-Lys)-Asn-Arg-Lys-Leu-Nle-Glu-Ile-Ile-NH2
fHLLREVLE-Nle-ARAEQLAQ-cyclo-(EAHK)NRKL-Nle-EII-NH2
AKOS024456701
[D-Phe(12), Nle(21,38), Glu(30), Lys(33)]-CRF (12-41)
CHEBI:76649
170809-51-5
GTPL925
[D-Phe12, Nle21,38, Glu30, Lys33]-CRF (12-41)
MFCD00798715
Astressin
ASTRESSIN
H-D-PHE-HIS-LEU-LEU-ARG-GLU-VAL-LEU-GLU-NLE-ALA-ARG-ALA-GLU-GLN-LEU-ALA-GLN-CYCLO(-GAMMA-GLU-ALA-HIS-EPSILON-LYS)-ASN-ARG-LYS-LEU-NLE-GLU-ILE-ILE-NH2
[D-PHE12, NLE21,38, GLU30, LYS33]-CORTICOTROPIN RELEASING FACTOR (12-41) (HUMAN, RAT)
[D-PHE12,NLE21,38,GLU30,LYS33]-CORTICOTROPIN RELEASING FACTOR FRAGMENT 12-41
[D-PHE12, NLE21,38, GLU30, LYS33]-CRF (12-41), CYCLIC LACTAM, HUMAN, RAT
[D-PHE12, NLE21,38, GLU30, LYS33]-CRF (12-41) (HUMAN, RAT)
(D-PHE12,NLE21,38,GLU30,LYS33)-CRF (12-41)(HUMAN, RAT) (CYCLIZED BETWEEN GAMMA-GLU30 ANDEPSILON-LYS33)
(D-PHE12,NLE21,38,GLU30,LYS33)-CRF (12-41) (HUMAN, RAT) TRIFLUOROACETATE SALT
D-PHE-HIS-LEU-LEU-ARG-GLU-VAL-LEU-GLU-NLE-ALA-ARG-ALA-GLU-GLN-LEU-ALA-GLN-GLU-ALA-HIS-LYS-ASN-ARG-LYS-LEU-NLE-GLU-ILE-ILE-NH2
DPHE-HIS-LEU-LEU-ARG-GLU-VAL-LEU-GLU-NLE-ALA-ARG-ALA-GLU-GLN-LEU-ALA-GLN-GLU-ALA-HIS-LYS-ASN-ARG-LYS-LEU-NLE-GLU-ILE-ILE-NH2
L-Isoleucinamide,D-phenylalanyl-L-histidyl-L-leucyl-L-leucyl-L-arginyl-L-a-glutamyl-L-valyl-L-...
{d-PHE}HLLREVLEARAEQLAQEAHKNRKLEII-NH2
ASTRESSIN TRIFLUOROACETATE SALT
M.W. 3563.24 C161H269N49O42
[D-Phe12, Nle21,38, Glu30, Lys33]-Corticotropin Releasing Factor fragment 12-41
ASTRESSIN (HUMAN, RAT)
M.W. 3563.24 C161H269N49O42