SIVMAC239-47_Chemical Cloud Database

SIVMAC239-47

Basic Information
Product Name：	SIVMAC239-47
English Synonyms：	DINQMLNCVGDHQAA ; H-ASP-ILE-ASN-GLN-MET-LEU-ASN-CYS-VAL-GLY-ASP-HIS-GLN-ALA-ALA-OH ; SIVMAC239-47
MDL Number.：	MFCD03790694
H bond acceptor：	45
H bond donor：	23
Smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC(=O)O)N
InChi：	InChI=1S/C65H105N21O24S2/c1-10-29(6)51(86-53(97)33(66)19-48(92)93)64(108)83-40(21-46(70)90)59(103)78-35(12-14-44(68)88)55(99)79-36(15-16-112-9)56(100)80-37(17-27(2)3)57(101)82-39(20-45(69)89)60(104)84-42(25-111)62(106)85-50(28(4)5)63(107)72-24-47(91)76-41(22-49(94)95)61(105)81-38(18-32-23-71-26-73-32)58(102)77-34(11-13-43(67)87)54(98)74-30(7)52(96)75-31(8)65(109)110/h23,26-31,33-42,50-51,111H,10-22,24-25,66H2,1-9H3,(H2,67,87)(H2,68,88)(H2,69,89)(H2,70,90)(H,71,73)(H,72,107)(H,74,98)(H,75,96)(H,76,91)(H,77,102)(H,78,103)(H,79,99)(H,80,100)(H,81,105)(H,82,101)(H,83,108)(H,84,104)(H,85,106)(H,86,97)(H,92,93)(H,94,95)(H,109,110)/t29-,30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,50-,51-/m0/s1
InChiKey：	InChIKey=QSJUKQVCQIHTSG-YRCSNGHWSA-N

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