Name: Name:12-Oxa-3,6,9-triazatetradecanoic acid, 6-(carboxymethyl)-3,9-bis[2-(1,1-dimethylethoxy)-2-oxoethyl]-13,13-dimethyl-11-oxo-, 1-(1,1-dimethylethyl) ester
Brand: Angene
SKU: AG001ZJK
Rating: 90 (10 reviews)

12-Oxa-3,6,9-triazatetradecanoic acid, 6-(carboxymethyl)-3,9-bis[2-(1,1-dimethylethoxy)-2-oxoethyl]-13,13-dimethyl-11-oxo-, 1-(1,1-dimethylethyl) ester

CAS No.:

174267-71-1

Catalog Number:

AG001ZJK

Molecular Formula:

C30H55N3O10

Molecular Weight:

617.7718

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Product Description

Catalog Number:

AG001ZJK

Chemical Name:

12-Oxa-3,6,9-triazatetradecanoic acid, 6-(carboxymethyl)-3,9-bis[2-(1,1-dimethylethoxy)-2-oxoethyl]-13,13-dimethyl-11-oxo-, 1-(1,1-dimethylethyl) ester

CAS Number:

174267-71-1

Molecular Formula:

C30H55N3O10

Molecular Weight:

617.7718

MDL Number:

MFCD28291825

IUPAC Name:

2-[bis[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]acetic acid

InChI:

InChI=1S/C30H55N3O10/c1-27(2,3)40-23(36)18-32(19-24(37)41-28(4,5)6)15-13-31(17-22(34)35)14-16-33(20-25(38)42-29(7,8)9)21-26(39)43-30(10,11)12/h13-21H2,1-12H3,(H,34,35)

InChI Key:

YOAXKQZNUYOPFL-UHFFFAOYSA-N

SMILES:

OC(=O)CN(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

Properties

Complexity:

812

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

617.389g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

617.781g/mol

Monoisotopic Mass:

617.389g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

152A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Peptide-modified liposomes for selective targeting of bombesin receptors overexpressed by cancer cells: a potential theranostic agent.	International journal of nanomedicine 20120101
Molecular recognition of sugars by lanthanide (III) complexes of a conjugate of N, N-bis[2-[bis[2-(1, 1-dimethylethoxy)-2-oxoethyl]amino]ethyl]glycine and phenylboronic acid.	Contrast media & molecular imaging 20070701