H2N-DEELSCTVVELK-OH_Chemical Cloud Database

H2N-DEELSCTVVELK-OH

Basic Information
Product Name：	H2N-DEELSCTVVELK-OH
English Synonyms：	SERINE (OR CYSTEINE) PROTEINASE INHIBITOR, CLADE A, MEMBER 3N (ALPHA ANTI-CHYMOTRIPSIN) FRAGMENT ; H2N-DEELSCTVVELK-OH
MDL Number.：	MFCD08274411
H bond acceptor：	36
H bond donor：	20
Smile：	CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)N
InChi：	InChI=1S/C57H97N13O23S/c1-25(2)20-35(50(85)63-34(57(92)93)12-10-11-19-58)64-49(84)33(15-18-41(77)78)62-54(89)43(27(5)6)68-55(90)44(28(7)8)69-56(91)45(29(9)72)70-53(88)38(24-94)67-52(87)37(23-71)66-51(86)36(21-26(3)4)65-48(83)32(14-17-40(75)76)61-47(82)31(13-16-39(73)74)60-46(81)30(59)22-42(79)80/h25-38,43-45,71-72,94H,10-24,58-59H2,1-9H3,(H,60,81)(H,61,82)(H,62,89)(H,63,85)(H,64,84)(H,65,83)(H,66,86)(H,67,87)(H,68,90)(H,69,91)(H,70,88)(H,73,74)(H,75,76)(H,77,78)(H,79,80)(H,92,93)/t29-,30+,31+,32+,33+,34+,35+,36+,37+,38+,43+,44+,45+/m1/s1
InChiKey：	InChIKey=HGNXOZKRHZTPCJ-YEWPKUMDSA-N

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