CYCLOBRADYKININ DIACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H71N15O10.2C2H4O2
Molecular Weight	1162.2972
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.CC(O)=O.NC(=N)NCCC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)CNC(=O)[C@@H]5CCCN5C(=O)[C@@H]6CCCN6C(=O)[C@H](CCCNC(N)=N)NC1=O

InChI

InChIKey=UMOPCWSPUMZIKP-OBSYHILJSA-N

InChI=1S/C50H71N15O10.2C2H4O2/c51-49(52)55-21-7-16-32-41(68)60-33(17-8-22-56-50(53)54)46(73)65-25-11-20-39(65)48(75)64-24-9-18-37(64)44(71)57-28-40(67)58-34(26-30-12-3-1-4-13-30)42(69)62-36(29-66)47(74)63-23-10-19-38(63)45(72)61-35(43(70)59-32)27-31-14-5-2-6-15-31;2*1-2(3)4/h1-6,12-15,32-39,66H,7-11,16-29H2,(H,57,71)(H,58,67)(H,59,70)(H,60,68)(H,61,72)(H,62,69)(H4,51,52,55)(H4,53,54,56);2*1H3,(H,3,4)/t32-,33-,34-,35-,36-,37-,38-,39-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C50H71N15O10
Molecular Weight	1042.1932
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:13:14 GMT 2023` Edited by `admin` on `Sat Dec 16 09:13:14 GMT 2023`
Record UNII	8VR0H5S49L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYCLOBRADYKININ DIACETATE

Common Name

English

CYCLO(L-ARGINYL-L-ARGINYL-L-PROLYL-L-PROLYLGLYCYL-L-PHENYLALANYL-L-SERYL-L-PROLYL-L-PHENYLALANYL), DIACETATE (SALT)

Systematic Name

English

Code System Code Type Description

PUBCHEM

72710788

Created by admin on Sat Dec 16 09:13:14 GMT 2023 , Edited by admin on Sat Dec 16 09:13:14 GMT 2023

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CAS

103945-73-9

Created by admin on Sat Dec 16 09:13:14 GMT 2023 , Edited by admin on Sat Dec 16 09:13:14 GMT 2023

PRIMARY

FDA UNII

8VR0H5S49L

Created by admin on Sat Dec 16 09:13:14 GMT 2023 , Edited by admin on Sat Dec 16 09:13:14 GMT 2023

PRIMARY