basic_info |
|
| Product_Name： | ASN-ASP-ASP-PRO-PRO-ILE-SER-ILE-ASP-LEU-THR-PHE-HIS-LEU-LEU-ARG-ASN-MET-ILE-GLU-MET-ALA-ARG-ASN-GLU-ASN-GLN-ARG-GLU-GLN-ALA-GLY-LEU-ASN-ARG-LYS-TYR-LEU-ASP-GLU-VAL-NH2 |
| EnglishSynonyms： | ASN-ASP-ASP-PRO-PRO-ILE-SER-ILE-ASP-LEU-THR-PHE-HIS-LEU-LEU-ARG-ASN-MET-ILE-GLU-MET-ALA-ARG-ASN-GLU-ASN-GLN-ARG-GLU-GLN-ALA-GLY-LEU-ASN-ARG-LYS-TYR-LEU-ASP-GLU-VAL-NH2 ; UROTENSIN I CARP |
| pro_mdlNumber： | MFCD17215295 |
| pro_acceptors： | 130 |
| pro_donors： | 71 |
| pro_smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc3ccc(cc3)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)N |
| InChi： | InChI=1S/C209H337N63O67S2/c1-24-102(16)163(267-183(316)125(66-74-341-23)248-194(327)136(86-151(219)281)258-177(310)117(45-36-70-231-209(226)227)240-185(318)127(76-97(6)7)251-186(319)128(77-98(8)9)253-190(323)133(82-110-92-228-95-233-110)256-189(322)132(80-108-39-28-27-29-40-108)262-204(337)166(107(21)274)270-198(331)130(79-100(12)13)254-196(329)140(90-160(296)297)263-202(335)164(103(17)25-2)268-199(332)142(94-273)265-203(336)165(104(18)26-3)269-200(333)143-46-37-71-271(143)206(339)144-47-38-72-272(144)205(338)141(91-161(298)299)264-197(330)138(88-158(292)293)250-170(303)112(211)83-148(216)278)201(334)249-122(57-63-156(288)289)180(313)247-124(65-73-340-22)172(305)235-106(20)169(302)237-115(43-34-68-229-207(222)223)176(309)257-134(84-149(217)279)193(326)245-121(56-62-155(286)287)181(314)259-135(85-150(218)280)192(325)244-119(54-60-147(215)277)178(311)239-113(41-30-31-48-145(212)213)173(306)243-120(55-61-154(284)285)179(312)242-118(53-59-146(214)276)171(304)234-105(19)168(301)232-93-153(283)236-126(75-96(4)5)184(317)260-137(87-152(220)282)191(324)241-116(44-35-69-230-208(224)225)174(307)238-114(42-32-33-67-210)175(308)255-131(81-109-49-51-111(275)52-50-109)188(321)252-129(78-99(10)11)187(320)261-139(89-159(294)295)195(328)246-123(58-64-157(290)291)182(315)266-162(101(14)15)167(221)300/h27-29,39-40,49-52,92,95-107,112-144,162-166,273-275H,24-26,30-38,41-48,53-91,93-94,210-211H2,1-23H3,(H3,212,213)(H2,214,276)(H2,215,277)(H2,216,278)(H2,217,279)(H2,218,280)(H2,219,281)(H2,220,282)(H2,221,300)(H,228,233)(H,232,301)(H,234,304)(H,235,305)(H,236,283)(H,237,302)(H,238,307)(H,239,311)(H,240,318)(H,241,324)(H,242,312)(H,243,306)(H,244,325)(H,245,326)(H,246,328)(H,247,313)(H,248,327)(H,249,334)(H,250,303)(H,251,319)(H,252,321)(H,253,323)(H,254,329)(H,255,308)(H,256,322)(H,257,309)(H,258,310)(H,259,314)(H,260,317)(H,261,320)(H,262,337)(H,263,335)(H,264,330)(H,265,336)(H,266,315)(H,267,316)(H,268,332)(H,269,333)(H,270,331)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H4,222,223,229)(H4,224,225,230)(H4,226,227,231)/t102-,103-,104-,105-,106-,107+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,162-,163-,164-,165-,166-/m0/s1 |
| InChiKey： | InChIKey=PHUIKTVTWKRYQK-XRWFHHCQSA-N |
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