InChI=1S/C52H77N15O12/c53-24-8-7-17-36(63-49(77)39-18-10-26-66(39)50(78)33(54)16-9-25-59-52(57)58)51(79)67-27-11-19-40(67)48(76)62-35(21-23-42(56)69)45(73)61-34(20-22-41(55)68)46(74)65-38(29-32-14-5-2-6-15-32)47(75)64-37(44(72)60-30-43(70)71)28-31-12-3-1-4-13-31/h1-6,12-15,33-40H,7-11,16-30,53-54H2,(H2,55,68)(H2,56,69)(H,60,72)(H,61,73)(H,62,76)(H,63,77)(H,64,75)(H,65,74)(H,70,71)(H4,57,58,59)/t33-,34-,35-,36-,37-,38-,39-,40-/m0/s1

【InChIKey】

InChIKey=FVHHQLNFRHVTSN-TZPCGENMSA-N

【SMILES】

c1ccc(cc1)C[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)O)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 (1-9).mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:14

H bond acceptor:27

XLogP3:-7.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

SUBSTANCE P (1-9).cml

Quick Release

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57468-17-4 SUBSTANCE P (1-9)

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】