NOCICEPTIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C79H129N27O22
Molecular Weight	1809.0373
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC2=CC=CC=C2)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O

InChI

InChIKey=PULGYDLMFSFVBL-SMFNREODSA-N

InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C79H129N27O22
Molecular Weight	1809.0373
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
E/Z Centers	9
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:25:55 UTC 2023` Edited by `admin` on `Sat Dec 16 08:25:55 UTC 2023`
Record UNII	7AYI9N34FF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NOCICEPTIN

Common Name

English

OFQ

Common Name

English

L-GLUTAMINE, L-PHENYLALANYLGLYCYLGLYCYL-L-PHENYLALANYL-L-THREONYLGLYCYL-L-ALANYL-L-ARGINYL-L-LYSYL-L-SERYL-L-ALANYL-L-ARGINYL-L-LYSYL-L-LEUCYL-L-ALANYL-L-ASPARAGINYL-

Systematic Name

English

ORPHANIN FQ (SWINE)

Common Name

English

ORPHANIN FQ

Common Name

English

PHE-GLY-GLY-PHE-THR-GLY-ALA-ARG-LYS-SER-UNK-ALA-ARG-LYS-LEU-ALA-ASN-GLN

Systematic Name

English

NOCICEPTIN [MI]

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID60168933