HBA31_Chemical Cloud Database

HBA31

Basic Information
Product Name：	HBA31
English Synonyms：	HBA31 ; SER-THR-LEU-PRO-GLU-THR-THR-VAL-VAL-ARG-ARG ; HBV SEQ1 AA: 141-151 ; H-SER-THR-LEU-PRO-GLU-THR-THR-VAL-VAL-ARG-ARG-OH ; HBVCORE14 ; STLPETTVVRR
MDL Number.：	MFCD07366695
H bond acceptor：	35
H bond donor：	22
Smile：	CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)N
InChi：	InChI=1S/C53H95N17O18/c1-23(2)21-33(64-47(83)38(26(7)72)67-41(77)29(54)22-71)50(86)70-20-12-15-34(70)44(80)61-31(16-17-35(75)76)43(79)68-39(27(8)73)49(85)69-40(28(9)74)48(84)66-37(25(5)6)46(82)65-36(24(3)4)45(81)62-30(13-10-18-59-52(55)56)42(78)63-32(51(87)88)14-11-19-60-53(57)58/h23-34,36-40,71-74H,10-22,54H2,1-9H3,(H,61,80)(H,62,81)(H,63,78)(H,64,83)(H,65,82)(H,66,84)(H,67,77)(H,68,79)(H,69,85)(H,75,76)(H,87,88)(H4,55,56,59)(H4,57,58,60)/t26-,27-,28-,29+,30+,31+,32+,33+,34+,36+,37+,38+,39+,40+/m1/s1
InChiKey：	InChIKey=LSLQYXCVNVBNJL-DGBWKTDHSA-N

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