CP-12 ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C84H131N25O17.C2H4O2
Molecular Weight	1823.1482
Optical Activity	UNSPECIFIED
Defined Stereocenters	16 / 16
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC5=CNC6=C5C=CC=C6)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC7=CC=C(O)C=C7)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC1=O)[C@@H](C)CC

InChI

InChIKey=RPLDWJXSTRUKHR-FAVYJJNDSA-N

InChI=1S/C84H131N25O17.C2H4O2/c1-7-47(5)67-79(123)103-59(37-46(3)4)71(115)96-56(23-15-33-92-83(87)88)70(114)101-61(39-50-41-94-54-20-10-9-19-53(50)54)72(116)98-58(24-16-34-93-84(89)90)82(126)108-35-17-25-65(108)77(121)99-57(22-12-14-32-86)81(125)109-36-18-26-66(109)78(122)104-63(43-110)76(120)102-62(40-51-42-91-45-95-51)74(118)107-68(48(6)8-2)80(124)105-64(44-111)75(119)97-55(21-11-13-31-85)69(113)100-60(73(117)106-67)38-49-27-29-52(112)30-28-49;1-2(3)4/h9-10,19-20,27-30,41-42,45-48,55-68,94,110-112H,7-8,11-18,21-26,31-40,43-44,85-86H2,1-6H3,(H,91,95)(H,96,115)(H,97,119)(H,98,116)(H,99,121)(H,100,113)(H,101,114)(H,102,120)(H,103,123)(H,104,122)(H,105,124)(H,106,117)(H,107,118)(H4,87,88,92)(H4,89,90,93);1H3,(H,3,4)/t47-,48-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C84H131N25O17
Molecular Weight	1763.0962
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	16 / 16
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:00:20 GMT 2023` Edited by `admin` on `Sat Dec 16 14:00:20 GMT 2023`
Record UNII	3U27IN7RQZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CP-12 ACETATE

Code

English

CYCLIZED (1-14) FIBRONECTIN PEPTIDE P12

Common Name

English

CYCLIZED P12 (PEPTIDE BOND BETWEEN THE CARBOXY AND AMINO-TERMINAL ENDS OF THE LINEAR PEPTIDE PSHISKYILRWRPK) ACETATE SALT

Common Name

English

Code System Code Type Description

FDA UNII

3U27IN7RQZ

Created by admin on Sat Dec 16 14:00:20 GMT 2023 , Edited by admin on Sat Dec 16 14:00:20 GMT 2023

PRIMARY

PUBCHEM

135390811

Created by admin on Sat Dec 16 14:00:20 GMT 2023 , Edited by admin on Sat Dec 16 14:00:20 GMT 2023

PRIMARY

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