Molecular Structure:
CCD No.:CCD00416793
SIVMAC239-81
Formula:C73 H127 N19 O22 S
MolWeight:1654.98
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| Product Name： | SIVMAC239-81 |
| English Synonyms： | H-THR-LEU-LEU-ILE-GLN-ASN-ALA-ASN-PRO-ASP-CYS-LYS-LEU-VAL-LEU-OH ; TLLIQNANPDCKLVL ; SIVMAC239-81 |
| MDL Number.： | MFCD03790727 |
| H bond acceptor： | 41 |
| H bond donor： | 21 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)N |
| InChi： | InChI=1S/C73H127N19O22S/c1-15-38(12)58(91-66(106)45(27-35(6)7)83-63(103)43(25-33(2)3)86-69(109)56(78)40(14)93)71(111)81-42(21-22-52(75)94)61(101)84-46(29-53(76)95)62(102)79-39(13)59(99)87-48(30-54(77)96)72(112)92-24-18-20-51(92)68(108)85-47(31-55(97)98)64(104)89-50(32-115)67(107)80-41(19-16-17-23-74)60(100)82-44(26-34(4)5)65(105)90-57(37(10)11)70(110)88-49(73(113)114)28-36(8)9/h33-51,56-58,93,115H,15-32,74,78H2,1-14H3,(H2,75,94)(H2,76,95)(H2,77,96)(H,79,102)(H,80,107)(H,81,111)(H,82,100)(H,83,103)(H,84,101)(H,85,108)(H,86,109)(H,87,99)(H,88,110)(H,89,104)(H,90,105)(H,91,106)(H,97,98)(H,113,114)/t38-,39-,40+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,56-,57-,58-/m0/s1 |
| InChiKey： | InChIKey=BAOCBEKKYPPYSH-XUGVGJNZSA-N |
Basic Information
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