SIVMAC239-86

pro_cas
pro_cdbregno
CCD00416798
pro_formula
C64 H107 N17 O24 S2
pro_molWeight
1562.78

basic_info

Product_Name: SIVMAC239-86
EnglishSynonyms: SIVMAC239-86 ; H-ASN-PRO-THR-LEU-GLU-GLU-MET-LEU-THR-ALA-CYS-GLN-GLY-VAL-GLY-OH ; NPTLEEMLTAC-QGVG
pro_mdlNumber: MFCD03790732
pro_acceptors: 41
pro_donors: 21
pro_smile: CC(C)C[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)N)N
InChi: InChI=1S/C64H107N17O24S2/c1-28(2)22-39(76-63(104)51(33(9)83)80-60(101)42-12-11-20-81(42)64(105)34(65)24-44(67)85)57(98)73-37(15-18-47(89)90)54(95)72-36(14-17-46(87)88)55(96)74-38(19-21-107-10)56(97)75-40(23-29(3)4)58(99)79-50(32(8)82)62(103)70-31(7)52(93)77-41(27-106)59(100)71-35(13-16-43(66)84)53(94)68-25-45(86)78-49(30(5)6)61(102)69-26-48(91)92/h28-42,49-51,82-83,106H,11-27,65H2,1-10H3,(H2,66,84)(H2,67,85)(H,68,94)(H,69,102)(H,70,103)(H,71,100)(H,72,95)(H,73,98)(H,74,96)(H,75,97)(H,76,104)(H,77,93)(H,78,86)(H,79,99)(H,80,101)(H,87,88)(H,89,90)(H,91,92)/t31-,32+,33+,34-,35-,36-,37-,38-,39-,40-,41-,42-,49-,50-,51-/m0/s1
InChiKey: InChIKey=KHNYJPUVPIRWHI-LYZBOOCHSA-N

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