GRAUNIMOTIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C94H150N32O21S
Molecular Weight	2096.464
Optical Activity	UNSPECIFIED
Defined Stereocenters	16 / 16
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC5=CN=CN5)C(O)=O

InChI

InChIKey=PFBPIHUEFUNOIS-DVQPEGLTSA-N

InChI=1S/C94H150N32O21S/c1-52(2)37-67(84(138)116-65(28-29-76(99)130)82(136)117-66(30-36-148-5)83(137)122-72(42-57-45-105-50-110-57)89(143)126-74(47-127)90(144)115-64(23-16-35-108-94(102)103)78(132)113-62(21-11-14-33-97)81(135)124-73(92(146)147)43-58-46-106-51-111-58)119-88(142)71(41-56-44-104-49-109-56)123-91(145)75(48-128)125-85(139)68(38-53(3)4)118-79(133)61(20-10-13-32-96)114-86(140)69(39-54-17-7-6-8-18-54)121-87(141)70(40-55-24-26-59(129)27-25-55)120-80(134)63(22-15-34-107-93(100)101)112-77(131)60(98)19-9-12-31-95/h6-8,17-18,24-27,44-46,49-53,60-75,127-129H,9-16,19-23,28-43,47-48,95-98H2,1-5H3,(H2,99,130)(H,104,109)(H,105,110)(H,106,111)(H,112,131)(H,113,132)(H,114,140)(H,115,144)(H,116,138)(H,117,136)(H,118,133)(H,119,142)(H,120,134)(H,121,141)(H,122,137)(H,123,145)(H,124,135)(H,125,139)(H,126,143)(H,146,147)(H4,100,101,107)(H4,102,103,108)/t60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C94H150N32O21S
Molecular Weight	2096.464
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	16 / 16
E/Z Centers	11
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:14:34 GMT 2023` Edited by `admin` on `Sat Dec 16 10:14:34 GMT 2023`
Record UNII	II1F8V9T4P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GRAUNIMOTIDE

Official Name

English

graunimotide [INN]

Common Name

English

L-HISTIDINE, L-LYSYL-L-ARGINYL-L-TYROSYL-L-PHENYLALANYL-L-LYSYL-L-LEUCYL-L-SERYL-L-HISTIDYL-L-LEUCYL-L-GLUTAMINYL-L-METHIONYL-L-HISTIDYL-L-SERYL-L-ARGINYL-L-LYSYL-

Systematic Name

English

L-LYSYL-L-ARGINYL-L-TYROSYL-L-PHENYLALANYL-L-LYSYL-L-LEUCYL- L-SERYL-L-HISTIDYL-L-LEUCYL-L-GLUTAMINYL-L-METHIONYL- L-HISTIDYL-L-SERYL-L-ARGINYL-L-LYSYL-L-HISTIDINE

Systematic Name

English

LYS-ARG-TYR-PHE-LYS-LEU-SER-HIS-LEU-GLN-MET-HIS-SER-ARG-LYS-HIS

Systematic Name

English

HUMAN WILMS TUMOR PROTEIN (WT33) (332-347)-PEPTIDE

Common Name

English

Code System Code Type Description

INN

10081