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N-{2-[Bis(carboxymethyl)amino]ethyl}-N-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]glycine | CAS No. 102650-30-6

N-{2-[Bis(carboxymethyl)amino]ethyl}-N-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]glycine

Basic Information

Chemical_Structure_Of

CAS Number

102650-30-6

Molecular Formula

C22H28N4O10S

Molecular Weight

540.55 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

C1=CC(=CC=C1CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)N=C=S

InChI

InChI=1S/C22H28N4O10S/c27-18(28)9-24(5-6-25(10-19(29)30)11-20(31)32)8-17(26(12-21(33)34)13-22(35)36)7-15-1-3-16(4-2-15)23-14-37/h1-4,17H,5-13H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)/t17-/m0/s1

InChIKey

VAOYPHGXHKUTHC-KRWDZBQOSA-N

LogP

-0.3389999999999956

Topological Polar Surface Area

208.57999999999998 Å²

Hydrogen Bond Donor/Acceptor

5 / 14

Complexity

826

Synonyms & References

English

Scn-Bz-dtpa
P-Scn-benzyl-dtpa, (S)-
CS-0891234
N-{2-[Bis(carboxymethyl)amino]ethyl}-N-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]glycine
Glycine, N-(2-((2-(bis(carboxymethyl)amino)ethyl)(carboxymethyl)amino)-1-((4-isothiocyanatophenyl)methyl)ethyl)-N-(carboxymethyl)-, (S)-
102650-30-6
GLYCINE, N-(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)-N-(2-(BIS(CARBOXYMETHYL)AMINO)-3-(4-ISOTHIOCYANATOPHENYL)PROPYL)-, (S)-
HY-156035
BZ-DTPA
SCHEMBL6550277
1-p-isothiocyanatobenzyl-diethylenetriaminepentaacetic acid
1-(4-Isothiocyanatobenzyl)diethylenetriaminepentaacetic acid
CITC-DTPA, (S)-
5H79013Y15
DTXSID90145439
GLYCINE, N-(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)-N-((2S)-2-(BIS(CARBOXYMETHYL)AMINO)-3-(4-ISOTHIOCYANATOPHENYL)PROPYL)-
N-(2-(bis(carboxymethyl)amino)ethyl)-N-((2S)-2-(bis(carboxymethyl)amino)-3-(4-isothiocyanatophenyl)propyl)glycine
UNII-5H79013Y15
2-[2-[bis(carboxymethyl)amino]ethyl-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid
Q27262163
Glycine,N-[2-[bis(carboxymethyl)amino]ethyl]-N-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]-
1-(4-isothiocyanatobenzyl)diethylenetriaminepentaacetic acid
CITC-DTPA
Glycine,N-[2-[bis(carboxymethyl)amino]ethyl]-N-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothioc...
N-{2-[bis(carboxymethyl)amino]ethyl}-N-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]glycine
p-SCN-Bn-DTPA
p-SCN-Bn-DTPA(B-305)

MDL Number

MFCD20134095

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

1,3-Dibromo-2,4-dichloro-5-fluorobenzene

CAS Number: 1000573-45-4

Molecular Formula: C6HFCl2Br2

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine

CAS Number: 103687-96-3

Molecular Formula: C17H19NO5S

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine

CAS Number: 112897-99-1

Molecular Formula: C30H31N3O7

Darunavir-d9 structure

Darunavir-d9

CAS Number: 1133378-37-6

Molecular Formula: C27H28D9N3O7S

2-Bromo-3-isopropoxypyridine structure

2-Bromo-3-isopropoxypyridine

CAS Number: 113503-65-4

Molecular Formula: C8H10BrNO

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate structure

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate

CAS Number: 116543-91-0

Molecular Formula: C11H7FO4

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile

CAS Number: 121055-10-5

Molecular Formula: C17H17NO4

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate

CAS Number: 1263059-26-2

Molecular Formula: C8H6ClN3O2

8-Bromoisoquinolin-1-amine structure

8-Bromoisoquinolin-1-amine

CAS Number: 1337879-85-2

Molecular Formula: C9H7BrN2

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Supplier Information

Jixi Tanzhen Biological Technology Co., Ltd.

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