CALDIAMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H26N5O8.Ca.H
Molecular Weight	457.492
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H+].[Ca++].CNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NC)CC([O-])=O)CC([O-])=O

InChI

InChIKey=ODEBPUSCODVDNF-UHFFFAOYSA-L

InChI=1S/C16H29N5O8.Ca/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+2/p-2

HIDE SMILES / InChI

Molecular Formula	C16H26N5O8
Molecular Weight	416.4063
Charge	-3
Count

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

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

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

Molecular Formula	H
Molecular Weight	1.0079
Charge	1
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 `Fri Dec 15 16:26:15 UTC 2023` Edited by `admin` on `Fri Dec 15 16:26:15 UTC 2023`
Record UNII	9229HWF92P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALDIAMIDE

Official Name

English

caldiamide [INN]

Common Name

English

N,N-BIS(2-((CARBOXYMETHYL)((METHYLCARBAMOYL)METHYL)AMINO)ETHYL)GLYCINATO(3-)CALCIATE(1-)

Common Name

English

CALCIATE(1-), (5,8-BIS(CARBOXYMETHYL)-11-(2-(METHYLAMINO)-2-OXOETHYL)-3-OXO-2,5,8,11-TETRAAZATRIDECAN-13-OATO(3-))-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C390