OZARELIX ,295350-45-7 _化学云数据库

OZARELIX

基本信息
产品名称：	OZARELIX
CAS：	295350-45-7
英文同义词：	OZARELIX ACETATE ; OZARELIX ; AC-D-2-NAL-D-4-CPA-D-3-PAL-SER-N-ME-TYR-D-HCI-NLE-ARG-PRO-D-ALA-NH2 ACETATE SALT
MDL号：	MFCD16660771
氢键受体数量：	31
氢键供体数量：	16
Smile：	CCCC[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)NC(=O)[C@@H](CCCCNC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](Cc3cccnc3)NC(=O)[C@@H](Cc4ccc(cc4)Cl)NC(=O)[C@@H](Cc5ccc6ccccc6c5)NC(=O)C
InChi：	InChI=1S/C72H96ClN17O14/c1-5-6-17-52(63(96)85-54(19-12-33-79-71(75)76)70(103)90-34-13-20-59(90)67(100)81-42(2)61(74)94)83-62(95)53(18-9-10-32-80-72(77)104)84-68(101)60(39-45-24-29-51(93)30-25-45)89(4)69(102)58(41-91)88-66(99)57(38-47-14-11-31-78-40-47)87-65(98)56(36-44-22-27-50(73)28-23-44)86-64(97)55(82-43(3)92)37-46-21-26-48-15-7-8-16-49(48)35-46/h7-8,11,14-16,21-31,35,40,42,52-60,91,93H,5-6,9-10,12-13,17-20,32-34,36-39,41H2,1-4H3,(H2,74,94)(H,81,100)(H,82,92)(H,83,95)(H,84,101)(H,85,96)(H,86,97)(H,87,98)(H,88,99)(H4,75,76,79)(H3,77,80,104)/t42-,52-,53-,54+,55-,56-,57-,58+,59+,60+/m1/s1
InChiKey：	InChIKey=KATZUZNTRINHDT-OSOSYWBYSA-N

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