ALLATOTROPIN ,120928-88-3 _化学云数据库

ALLATOTROPIN

基本信息
产品名称：	ALLATOTROPIN
CAS：	120928-88-3
英文同义词：	ALLATOTROPIN-RELATED PEPTIDE ; GFKNVQLSTARGF ; MAS-AT ; AT ; ATRP ; H-GLY-PHE-LYS-ASN-VAL-GLU-MET-MET-THR-ALA-ARG-GLY-PHE-NH2 ; ALLATOTROPIN ; GFKNVEMMTARGF-NH2
MDL号：	MFCD00133060
氢键受体数量：	36
氢键供体数量：	21
Smile：	CC(C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN
InChi：	InChI=1S/C65H103N19O17S2/c1-35(2)52(83-62(99)47(32-48(68)86)82-57(94)41(20-13-14-26-66)78-61(98)46(76-49(87)33-67)31-39-18-11-8-12-19-39)63(100)81-42(22-23-51(89)90)58(95)79-43(24-28-102-5)59(96)80-44(25-29-103-6)60(97)84-53(37(4)85)64(101)74-36(3)55(92)77-40(21-15-27-72-65(70)71)56(93)73-34-50(88)75-45(54(69)91)30-38-16-9-7-10-17-38/h7-12,16-19,35-37,40-47,52-53,85H,13-15,20-34,66-67H2,1-6H3,(H2,68,86)(H2,69,91)(H,73,93)(H,74,101)(H,75,88)(H,76,87)(H,77,92)(H,78,98)(H,79,95)(H,80,96)(H,81,100)(H,82,94)(H,83,99)(H,84,97)(H,89,90)(H4,70,71,72)/t36-,37+,40-,41-,42-,43-,44-,45-,46-,47-,52-,53-/m0/s1
InChiKey：	InChIKey=VOQFXDFZGBDKIR-CTUBCELVSA-N

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