HXB2 GAG NO 82/AA325-339

pro_cas
pro_cdbregno
CCD00416624
pro_formula
C67 H115 N19 O21 S
pro_molWeight
1554.82

basic_info

Product_Name: HXB2 GAG NO 82/AA325-339
EnglishSynonyms: H-ASN-ALA-ASN-PRO-ASP-CYS-LYS-THR-ILE-LEU-LYS-ALA-LEU-GLY-PRO-OH ; NANPDCKTILKALGP ; HXB2 GAG NO 82/AA325-339
pro_mdlNumber: MFCD03790558
pro_acceptors: 40
pro_donors: 20
pro_smile: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)N)NC(=O)C(C)NC(=O)[C@H](CC(=O)N)N
InChi: InChI=1S/C67H115N19O21S/c1-10-34(6)52(64(103)80-42(26-33(4)5)60(99)76-39(17-11-13-21-68)58(97)75-36(8)54(93)78-41(25-32(2)3)57(96)73-30-50(90)85-23-16-20-47(85)67(106)107)83-65(104)53(37(9)87)84-59(98)40(18-12-14-22-69)77-62(101)45(31-108)82-61(100)43(29-51(91)92)79-63(102)46-19-15-24-86(46)66(105)44(28-49(72)89)81-55(94)35(7)74-56(95)38(70)27-48(71)88/h32-47,52-53,87,108H,10-31,68-70H2,1-9H3,(H2,71,88)(H2,72,89)(H,73,96)(H,74,95)(H,75,97)(H,76,99)(H,77,101)(H,78,93)(H,79,102)(H,80,103)(H,81,94)(H,82,100)(H,83,104)(H,84,98)(H,91,92)(H,106,107)/t34-,35?,36-,37+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-,53-/m0/s1
InChiKey: InChIKey=MZFAEXNXXXYBGX-VGHCSPLQSA-N

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