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About This Item

Empirical Formula (Hill Notation):
C61H101N22O14
Molecular Weight:
1366.59
MDL number:
UNSPSC Code:
12352200
PubChem Substance ID:
Technical Service
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form

lyophilized powder

UniProt accession no.

storage temp.

−20°C

SMILES string

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC[C@@H](N)Cc2ccccc2)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(N)=O

InChI

1S/C61H102N22O14/c1-35(75-48(87)33-74-59(97)50(37(3)85)83-57(95)45(29-39-18-8-5-9-19-39)77-49(88)32-73-47(86)31-70-30-40(64)28-38-16-6-4-7-17-38)52(90)79-44(23-15-27-72-61(68)69)55(93)81-42(21-11-13-25-63)56(94)82-46(34-84)58(96)76-36(2)53(91)80-43(22-14-26-71-60(66)67)54(92)78-41(51(65)89)20-10-12-24-62/h4-9,16-19,35-37,40-46,50,70,84-85H,10-15,20-34,62-64H2,1-3H3,(H2,65,89)(H,73,86)(H,74,97)(H,75,87)(H,76,96)(H,77,88)(H,78,92)(H,79,90)(H,80,91)(H,81,93)(H,82,94)(H,83,95)(H4,66,67,71)(H4,68,69,72)/t35-,36-,37+,40-,41-,42-,43-,44-,45-,46-,50-/m0/s1

InChI key

ZHKMSRDIVOXQKP-YILJZHMHSA-N

Gene Information

human ... PNOC(5368)

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Amino Acid Sequence

Phe-(CH2-NH)-Gly-Gly-Phe-Thr-Gly-Ala-Arg-Lys-Ser-Ala-Arg-Lys-NH2

Biochem/physiol Actions

Selective ORL1 opioid receptor antagonist at peripheral receptors. It functions as a partial agonist at central ORL1 receptors.
Selective ORL1 opioid receptor antagonist at peripheral receptors; partial agonist at central ORL1 receptors.

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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