KAITOCEPHALIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H21Cl2N3O9
Molecular Weight	494.28
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

N[C@H]([C@H](O)[C@]1(CC[C@H](C[C@H](NC(=O)C2=CC(Cl)=C(O)C(Cl)=C2)C(O)=O)N1)C(O)=O)C(O)=O

InChI

InChIKey=AJQRDRIPQOAJCM-BWOKQULHSA-N

InChI=1S/C18H21Cl2N3O9/c19-8-3-6(4-9(20)12(8)24)14(26)22-10(15(27)28)5-7-1-2-18(23-7,17(31)32)13(25)11(21)16(29)30/h3-4,7,10-11,13,23-25H,1-2,5,21H2,(H,22,26)(H,27,28)(H,29,30)(H,31,32)/t7-,10+,11-,13+,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H21Cl2N3O9
Molecular Weight	494.28
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:53:29 UTC 2023` Edited by `admin` on `Sat Dec 16 09:53:29 UTC 2023`
Record UNII	9B96C79PCS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KAITOCEPHALIN

Common Name

English

PF-1191

Code

English

2,5-PYRROLIDINEDIPROPANOIC ACID, .ALPHA.2-AMINO-2-CARBOXY-.ALPHA.5-((3,5-DICHLORO-4-HYDROXYBENZOYL)AMINO)-.BETA.2-HYDROXY-, (.ALPHA.2R,.ALPHA.5S,.BETA.2S,2R,5R)-

Systematic Name

English

(-)-KAITOCEPHALIN

Common Name

English

Code System Code Type Description

FDA UNII

9B96C79PCS