InChI=1S/C61H93N13O23/c1-10-30(8)49(60(95)74-21-11-12-41(74)57(92)66-36(61(96)97)17-19-42(63)76)73-56(91)37(22-27(2)3)68-54(89)38(23-32-13-15-33(75)16-14-32)69-52(87)35(18-20-43(77)78)65-55(90)40(26-46(83)84)67-50(85)31(9)64-53(88)39(25-45(81)82)70-58(93)47(28(4)5)72-59(94)48(29(6)7)71-51(86)34(62)24-44(79)80/h13-16,27-31,34-41,47-49,75H,10-12,17-26,62H2,1-9H3,(H2,63,76)(H,64,88)(H,65,90)(H,66,92)(H,67,85)(H,68,89)(H,69,87)(H,70,93)(H,71,86)(H,72,94)(H,73,91)(H,77,78)(H,79,80)(H,81,82)(H,83,84)(H,96,97)/t30-,31-,34-,35-,36-,37-,38-,39-,40-,41-,47-,48-,49-/m0/s1

【InChIKey】

InChIKey=CHCIQWQBUPWRLJ-XJSWDNOJSA-N

【SMILES】

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)N

【MOL File】

ASP-VAL-VAL-ASP-ALA-….mol

2ChemicalProperties

【ComputedProperties】

pro_donors:18

pro_acceptors:36

XLogP3:-4.0

Bulk/Fine:F

3MaterialMSDS

4CMLFile

ASP-VAL-VAL-ASP-ALA-ASP-GLU-TYR-LEU-ILE-PRO-GLN.cml

quick_release

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96249-43-3 ASP-VAL-VAL-ASP-ALA-ASP-GLU-TYR-LEU-ILE-PRO-GLN

1Identification

【Name】

【CAS】

【MDL】

【中文同义词】

【EnglishSynonyms】

【pro_formula】

【pro_molWeight】

【Inchi】