Basic Information |
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| Product Name： | H2N-DNFMKDVLRLIEQYVSSHTHAMK-OH |
| English Synonyms： | YOPD (278-300) [YERSINIA PESTIS]/[YERSINIA PSEUDOTUBERCULOSIS]/[YERSINIA ENTEROCOLITICA] ; H2N-DNFMKDVLRLIEQYVSSHTHAMK-OH |
| MDL Number.： | MFCD08274454 |
| H bond acceptor： | 70 |
| H bond donor： | 40 |
| Smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)N |
| InChi： | InChI=1S/C121H192N34O36S2/c1-15-63(10)96(154-110(180)80(45-60(4)5)143-101(171)73(28-23-41-131-121(127)128)137-107(177)79(44-59(2)3)148-116(186)94(61(6)7)153-113(183)86(52-93(166)167)147-100(170)72(26-19-21-39-122)136-104(174)77(38-43-193-14)139-108(178)81(46-66-24-17-16-18-25-66)145-109(179)85(51-90(126)161)142-99(169)71(124)50-92(164)165)118(188)140-75(34-36-91(162)163)102(172)138-74(33-35-89(125)160)103(173)144-82(47-67-29-31-70(159)32-30-67)111(181)152-95(62(8)9)117(187)151-88(56-157)115(185)150-87(55-156)114(184)146-84(49-69-54-130-58-133-69)112(182)155-97(65(12)158)119(189)149-83(48-68-53-129-57-132-68)106(176)134-64(11)98(168)135-76(37-42-192-13)105(175)141-78(120(190)191)27-20-22-40-123/h16-18,24-25,29-32,53-54,57-65,71-88,94-97,156-159H,15,19-23,26-28,33-52,55-56,122-124H2,1-14H3,(H2,125,160)(H2,126,161)(H,129,132)(H,130,133)(H,134,176)(H,135,168)(H,136,174)(H,137,177)(H,138,172)(H,139,178)(H,140,188)(H,141,175)(H,142,169)(H,143,171)(H,144,173)(H,145,179)(H,146,184)(H,147,170)(H,148,186)(H,149,189)(H,150,185)(H,151,187)(H,152,181)(H,153,183)(H,154,180)(H,155,182)(H,162,163)(H,164,165)(H,166,167)(H,190,191)(H4,127,128,131)/t63-,64-,65+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,94-,95-,96-,97-/m0/s1 |
| InChiKey： | InChIKey=UNXMZYKPZHDYTO-JFOZFXQCSA-N |
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