APROTININ（CAS号：9004-04-0）

抑肽酶

基本信息

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CAS号

9004-04-0

分子式

C284H432N84O79S7

分子量

6511.44 g/mol

EINECS号

232-994-9

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

物理状态

white

SMILES

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[H]/N=C(/N)NCCC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CSSC[C@@H](C(=O)NCC(=O)NCC(=O)N[C@H](C)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CCCN/C(N)=N/[H])NC(=O)[C@H](CCSC)NC(=O)[C@H]2CSSC[C@H]3NC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc4ccc(O)cc4)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](Cc4ccc(O)cc4)NC(=O)[C@@H](CCCN/C(N)=N\[H])NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CSSC[C@@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(N)=O)NC3=O)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N[C@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN/C(N)=N\[H])C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N2)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CC(C)C)NC1=O

InChI

InChI=1S/C284H432N84O79S7/c1-21-144(9)222-271(439)337-174(68-46-105-309-282(300)301)239(407)340-187(120-160-77-85-164(374)86-78-160)251(419)341-185(116-156-55-29-24-30-56-156)250(418)342-188(121-161-79-87-165(375)88-80-161)252(420)346-191(123-208(291)378)246(414)322-149(14)230(398)326-168(62-35-39-98-285)234(402)319-146(11)227(395)314-132-215(385)324-181(113-141(3)4)247(415)354-199-137-452-453-138-200-263(431)336-179(97-112-448-20)242(410)331-176(70-48-107-311-284(304)305)244(412)363-226(154(19)372)274(442)358-197(233(401)316-129-212(382)312-130-213(383)318-151(16)278(446)447)135-449-451-139-201(355-253(421)186(117-157-57-31-25-32-58-157)344-256(424)195(127-220(393)394)350-267(435)204-72-50-109-366(204)275(443)167(289)61-43-102-306-279(294)295)265(433)339-182(114-142(5)6)248(416)338-180(93-96-218(389)390)276(444)368-111-52-74-206(368)277(445)367-110-51-73-205(367)268(436)349-189(122-162-81-89-166(376)90-82-162)259(427)362-224(152(17)370)269(437)317-133-216(386)365-108-49-71-203(365)266(434)357-202(264(432)333-169(63-36-40-99-286)235(403)320-148(13)229(397)328-175(69-47-106-310-283(302)303)243(411)360-223(145(10)22-2)272(440)361-222)140-454-450-136-198(325-214(384)131-313-211(381)128-315-232(400)183(119-159-75-83-163(373)84-76-159)351-270(438)221(143(7)8)359-258(426)190(118-158-59-33-26-34-60-158)352-273(441)225(153(18)371)364-245(413)177(335-262(199)430)91-94-207(290)377)261(429)334-172(66-44-103-307-280(296)297)236(404)321-147(12)228(396)327-170(64-37-41-100-287)237(405)330-173(67-45-104-308-281(298)299)238(406)345-192(124-209(292)379)255(423)347-193(125-210(293)380)254(422)343-184(115-155-53-27-23-28-54-155)249(417)332-171(65-38-42-101-288)240(408)353-196(134-369)260(428)323-150(15)231(399)329-178(92-95-217(387)388)241(409)348-194(126-219(391)392)257(425)356-200/h23-34,53-60,75-90,141-154,167-206,221-226,369-376H,21-22,35-52,61-74,91-140,285-289H2,1-20H3,(H2,290,377)(H2,291,378)(H2,292,379)(H2,293,380)(H,312,382)(H,313,381)(H,314,395)(H,315,400)(H,316,401)(H,317,437)(H,318,383)(H,319,402)(H,320,403)(H,321,404)(H,322,414)(H,323,428)(H,324,385)(H,325,384)(H,326,398)(H,327,396)(H,328,397)(H,329,399)(H,330,405)(H,331,410)(H,332,417)(H,333,432)(H,334,429)(H,335,430)(H,336,431)(H,337,439)(H,338,416)(H,339,433)(H,340,407)(H,341,419)(H,342,418)(H,343,422)(H,344,424)(H,345,406)(H,346,420)(H,347,423)(H,348,409)(H,349,436)(H,350,435)(H,351,438)(H,352,441)(H,353,408)(H,354,415)(H,355,421)(H,356,425)(H,357,434)(H,358,442)(H,359,426)(H,360,411)(H,361,440)(H,362,427)(H,363,412)(H,364,413)(H,387,388)(H,389,390)(H,391,392)(H,393,394)(H,446,447)(H4,294,295,306)(H4,296,297,307)(H4,298,299,308)(H4,300,301,309)(H4,302,303,310)(H4,304,305,311)/t144-,145+,146-,147-,148-,149-,150+,151-,152+,153-,154-,167-,168+,169+,170+,171+,172+,173+,174-,175+,176-,177+,178-,179+,180+,181-,182-,183+,184-,185+,186+,187-,188-,189-,190+,191+,192-,193+,194+,195-,196-,197+,198-,199-,200-,201-,202-,203+,204+,205+,206-,221-,222-,223+,224-,225+,226+/m1/s1

InChIKey

ZPNFWUPYTFPOJU-YSFZTAPISA-N

LogP

-26.691980000000022

拓扑极性表面积

2645.740000000002 Å²

氢键供体/受体

108 / 163

复杂度

16700

同义词与引用数据

英文

H-ARG-PRO-ASP-PHE-CYS-LEU-GLU-PRO-PRO-TYR-THR-GLY-PRO-CYS-LYS-ALA-ARG-ILE-ILE-ARG-TYR-PHE-TYR-ASN-ALA-LYS-ALA-GLY-LEU-CYS-GLN-THR-PHE-VAL-TYR-GLY-GLY-CYS-ARG-ALA-LYS-ARG-ASN-ASN-PHE-LYS-SER-ALA-GLU-ASP-CYS-MET-ARG-THR-CYS-GLY-GLY-ALA-OH
EC: 3.4.21.9
APROTININ, BOVINE
APROTININ BOVINE LUNG
BPTI
PROTEASE INHIBITOR, BOVINE LUNG
TRYPSIN INHIBITOR (BASIC)
TRYPSIN INHIBITOR, BOVINE LUNG
Aprotinin
ANORETHIDRANE DIPROPIONATE