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List GIRACTIDE
New Version
CCD No. :
CCD00821212
Product Name : GIRACTIDE
CAS No. : 24870-04-0
MDL Number. : MFCD09837860
Formula : C100 H156 N34 O22 S
MolWeight : 2218.61
Synonyms :
GIRACTIDE;
Mol : GIRACTIDE.mol
Product Name : GIRACTIDE
CAS No. : 24870-04-0
MDL Number. : MFCD09837860
Formula : C100 H156 N34 O22 S
MolWeight : 2218.61
Synonyms :
GIRACTIDE;
Mol : GIRACTIDE.mol
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| Product Name： | GIRACTIDE |
| CAS： | 24870-04-0 |
| English Synonyms： | GIRACTIDE |
| MDL Number.： | MFCD09837860 |
| H bond acceptor： | 56 |
| H bond donor： | 35 |
| Smile： | CC(C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc6ccc(cc6)O)NC(=O)CN |
| InChi： | InChI=1S/C100H156N34O22S/c1-56(2)82(96(155)118-53-79(138)120-65(23-9-12-37-101)85(144)124-66(24-10-13-38-102)87(146)125-67(27-16-41-114-99(108)109)86(145)123-64(83(105)142)26-15-40-113-98(106)107)133-95(154)77-29-18-43-134(77)97(156)71(25-11-14-39-103)121-80(139)52-117-84(143)74(47-59-50-116-63-22-8-7-21-62(59)63)130-88(147)68(28-17-42-115-100(110)111)126-92(151)73(45-57-19-5-4-6-20-57)129-93(152)75(48-60-51-112-55-119-60)131-89(148)69(34-35-81(140)141)127-90(149)70(36-44-157-3)128-94(153)76(54-135)132-91(150)72(122-78(137)49-104)46-58-30-32-61(136)33-31-58/h4-8,19-22,30-33,50-51,55-56,64-77,82,116,135-136H,9-18,23-29,34-49,52-54,101-104H2,1-3H3,(H2,105,142)(H,112,119)(H,117,143)(H,118,155)(H,120,138)(H,121,139)(H,122,137)(H,123,145)(H,124,144)(H,125,146)(H,126,151)(H,127,149)(H,128,153)(H,129,152)(H,130,147)(H,131,148)(H,132,150)(H,133,154)(H,140,141)(H4,106,107,113)(H4,108,109,114)(H4,110,111,115)/t64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,82-/m0/s1 |
| InChiKey： | InChIKey=UCAQRQOWAWUCJG-NIXLADBNSA-N |
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