SEQ ID NO:549_Chemical Cloud Database

SEQ ID NO:549

Basic Information
Product Name：	SEQ ID NO:549
English Synonyms：	SEQ ID NO:549
MDL Number.：	MFCD17018909
H bond acceptor：	26
H bond donor：	15
Smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc4ccc(cc4)O)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc5ccccc5)N
InChi：	InChI=1S/C63H91N13O13/c1-5-38(4)54(75-57(82)46(20-11-13-27-64)69-53(79)35-68-56(81)48(30-37(2)3)71-55(80)44(66)31-39-16-7-6-8-17-39)61(86)73-50(33-41-34-67-45-19-10-9-18-43(41)45)62(87)76-29-15-22-52(76)60(85)74-51(36-77)59(84)72-49(32-40-23-25-42(78)26-24-40)58(83)70-47(63(88)89)21-12-14-28-65/h6-10,16-19,23-26,34,37-38,44,46-52,54,67,77-78H,5,11-15,20-22,27-33,35-36,64-66H2,1-4H3,(H,68,81)(H,69,79)(H,70,83)(H,71,80)(H,72,84)(H,73,86)(H,74,85)(H,75,82)(H,88,89)/t38-,44-,46-,47-,48-,49-,50-,51-,52-,54-/m0/s1
InChiKey：	InChIKey=YXCJAYAJLIMLAR-AOTHFSCISA-N

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