InChI=1S/C63H97N17O14S/c1-37(2)33-45(56(87)76-44(62(93)94)27-32-95-3)72-52(83)36-71-53(84)46(34-38-15-6-4-7-16-38)77-57(88)47(35-39-17-8-5-9-18-39)78-55(86)41(23-25-50(66)81)73-54(85)42(24-26-51(67)82)74-58(89)49-22-14-31-80(49)61(92)43(20-10-11-28-64)75-59(90)48-21-13-30-79(48)60(91)40(65)19-12-29-70-63(68)69/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,81)(H2,67,82)(H,71,84)(H,72,83)(H,73,85)(H,74,89)(H,75,90)(H,76,87)(H,77,88)(H,78,86)(H,93,94)(H4,68,69,70)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1

【InChIKey】

InChIKey=XHWDVRRNQHMAPE-CUZNLEPHSA-N

【SMILES】

CC(C)C[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)N

【MOL File】

SUBSTANCE P.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:16

H bond acceptor:31

XLogP3:-6.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

Chem-Impex International, Inc. :SUBSTANCE P

【WGK Germany】

4CML File

SUBSTANCE P.cml

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71977-09-8 SUBSTANCE P

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】