InChI=1S/C62H106N16O18S2/c1-6-35(4)50(61(94)72-42(62(95)96)20-12-15-26-65)78-55(88)41(23-27-98-5)71-59(92)46(31-79)77-57(90)44(29-36-16-8-7-9-17-36)74-60(93)47(32-80)76-53(86)39(19-11-14-25-64)70-58(91)45(30-49(82)83)75-56(89)43(28-34(2)3)73-52(85)38(18-10-13-24-63)69-54(87)40(21-22-48(67)81)68-51(84)37(66)33-97/h7-9,16-17,34-35,37-47,50,79-80,97H,6,10-15,18-33,63-66H2,1-5H3,(H2,67,81)(H,68,84)(H,69,87)(H,70,91)(H,71,92)(H,72,94)(H,73,85)(H,74,93)(H,75,89)(H,76,86)(H,77,90)(H,78,88)(H,82,83)(H,95,96)/t35-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,50-/m0/s1

【InChIKey】

InChIKey=DXLMNZGNAODYII-NTOAFIDWSA-N

【SMILES】

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CS)N

【MOL File】

L-SELECTIN.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:20

H bond acceptor:34

XLogP3:-3.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

L-SELECTIN.cml

Quick Release

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126880-86-2 L-SELECTIN

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】